methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate

C24H31ClN4O4S — CID 174229053

IUPACmethyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(CC1CCCC1)NC(=O)c1ccc(C(C)Nc2cc(Cl)cnc2C)s1
InChIInChI=1S/C24H31ClN4O4S/c1-14-18(11-17(25)12-26-14)28-15(2)20-8-9-21(34-20)24(32)29-19(10-16-6-4-5-7-16)23(31)27-13-22(30)33-3/h8-9,11-12,15-16,19,28H,4-7,10,13H2,1-3H3,(H,27,31)(H,29,32)
InChIKeyRUJQWDZXZVKSRJ-UHFFFAOYSA-N
MW507.06 g/mol
LogP4.25
Rot. Bonds10

About methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate

methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate (PubChem CID 174229053) has the molecular formula C24H31ClN4O4S and a molecular weight of 507.06 g/mol. Its IUPAC name is methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate
PubChem CID174229053
Molecular FormulaC24H31ClN4O4S
Molecular Weight507.06 g/mol
Exact Mass506.18
IUPAC Namemethyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(CC1CCCC1)NC(=O)c1ccc(C(C)Nc2cc(Cl)cnc2C)s1
InChIInChI=1S/C24H31ClN4O4S/c1-14-18(11-17(25)12-26-14)28-15(2)20-8-9-21(34-20)24(32)29-19(10-16-6-4-5-7-16)23(31)27-13-22(30)33-3/h8-9,11-12,15-16,19,28H,4-7,10,13H2,1-3H3,(H,27,31)(H,29,32)
InChIKeyRUJQWDZXZVKSRJ-UHFFFAOYSA-N
XLogP4.25
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.06
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424418
methyl 3-[[(2S)-2-[[5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]cyclobutane-1-carboxylate
CID 171424704
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424566
5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 174229380
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(8-oxabicyclo[3.2.1]octan-3-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424494
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-[(2,2-difluorocyclopropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424585
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171902479
5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[1-[(2-chloro-4-pyridinyl)amino]-3-cyclopentyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 174228931
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(4-fluoro-3-methoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424699
3-[[(2S)-2-[[5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 171424628
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-1-[(3-cyanocyclopentyl)amino]-3-cyclopentyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424476
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 174224271

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate (CID 174229053) is methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate is COC(=O)CNC(=O)C(CC1CCCC1)NC(=O)c1ccc(C(C)Nc2cc(Cl)cnc2C)s1.
What is the InChIKey of methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate?
The InChIKey is RUJQWDZXZVKSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O4S/c1-14-18(11-17(25)12-26-14)28-15(2)20-8-9-21(34-20)24(32)29-19(10-16-6-4-5-7-16)23(31)27-13-22(30)33-3/h8-9,11-12,15-16,19,28H,4-7,10,13H2,1-3H3,(H,27,31)(H,29,32).
What are the key properties of methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate?
methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate has a molecular weight of 507.06 g/mol, XLogP of 4.25, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]acetate is sourced from PubChem (CID 174229053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).