2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide

C19H24N4O4S3 — CID 41210634

IUPAC2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C19H24N4O4S3/c1-13(18(25)22-19-15(17(20)24)8-11-28-19)29-16-7-6-14(12-21-16)30(26,27)23-9-4-2-3-5-10-23/h6-8,11-13H,2-5,9-10H2,1H3,(H2,20,24)(H,22,25)/t13-/m1/s1
InChIKeyMPWVFLVSKMSCJA-CYBMUJFWSA-N
MW468.63 g/mol
LogP2.93
Rot. Bonds7

About 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide (PubChem CID 41210634) has the molecular formula C19H24N4O4S3 and a molecular weight of 468.63 g/mol. Its IUPAC name is 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
PubChem CID41210634
Molecular FormulaC19H24N4O4S3
Molecular Weight468.63 g/mol
Exact Mass468.10
IUPAC Name2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C19H24N4O4S3/c1-13(18(25)22-19-15(17(20)24)8-11-28-19)29-16-7-6-14(12-21-16)30(26,27)23-9-4-2-3-5-10-23/h6-8,11-13H,2-5,9-10H2,1H3,(H2,20,24)(H,22,25)/t13-/m1/s1
InChIKeyMPWVFLVSKMSCJA-CYBMUJFWSA-N
XLogP2.93
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[(2R)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 27968977
(2S)-N-propan-2-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 39965753
(2S)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561729
N-cycloheptyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625230
(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561730
methyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoate
CID 42929024
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 41204626
N-(2,5-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46815261
(2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 41214074
(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 41327672
ethyl 2-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 24571816
N-(3,4-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625515

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide (CID 41210634) is 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide is C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is MPWVFLVSKMSCJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N4O4S3/c1-13(18(25)22-19-15(17(20)24)8-11-28-19)29-16-7-6-14(12-21-16)30(26,27)23-9-4-2-3-5-10-23/h6-8,11-13H,2-5,9-10H2,1H3,(H2,20,24)(H,22,25)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 468.63 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 41210634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).