4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide

C23H27ClN4O5S — CID 68883498

IUPAC4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide
SMILESCc1cc(NC(=O)CC(CC(C)C(N)=O)NC(=O)c2ccc(Cl)s2)ccc1N1CCOCC1=O
InChIInChI=1S/C23H27ClN4O5S/c1-13-9-15(3-4-17(13)28-7-8-33-12-21(28)30)26-20(29)11-16(10-14(2)22(25)31)27-23(32)18-5-6-19(24)34-18/h3-6,9,14,16H,7-8,10-12H2,1-2H3,(H2,25,31)(H,26,29)(H,27,32)
InChIKeySUMGSCRWLUSOTL-UHFFFAOYSA-N
MW507.01 g/mol
LogP2.71
Rot. Bonds9

About 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide

4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide (PubChem CID 68883498) has the molecular formula C23H27ClN4O5S and a molecular weight of 507.01 g/mol. Its IUPAC name is 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide.

Molecular Properties

Compound Name4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide
PubChem CID68883498
Molecular FormulaC23H27ClN4O5S
Molecular Weight507.01 g/mol
Exact Mass506.14
IUPAC Name4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide
SMILESCc1cc(NC(=O)CC(CC(C)C(N)=O)NC(=O)c2ccc(Cl)s2)ccc1N1CCOCC1=O
InChIInChI=1S/C23H27ClN4O5S/c1-13-9-15(3-4-17(13)28-7-8-33-12-21(28)30)26-20(29)11-16(10-14(2)22(25)31)27-23(32)18-5-6-19(24)34-18/h3-6,9,14,16H,7-8,10-12H2,1-2H3,(H2,25,31)(H,26,29)(H,27,32)
InChIKeySUMGSCRWLUSOTL-UHFFFAOYSA-N
XLogP2.71
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.01
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide with MolForge

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Related Compounds

tert-butyl N-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]carbamate
CID 68884023
tert-butyl N-[(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-4-oxobutyl]carbamate
CID 68883502
tert-butyl N-[4-[(5-chlorothiophene-2-carbonyl)amino]-5-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-5-oxopentyl]carbamate
CID 68886814
1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide
CID 69055139
N-[(2S)-2-amino-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]-5-chlorothiophene-2-carboxamide
CID 91310027
5-chloro-N-[(2R)-2-(methylcarbamoylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)anilino]propyl]thiophene-2-carboxamide
CID 91196594
5-chloro-N-[(2S)-3-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-2-(ethylcarbamoylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 90947174
N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide
CID 11511934
N-[3-[3-amino-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070772
(5-chlorothiophen-2-yl) N-[2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxo-1-phenylethyl]carbamate
CID 91492676
5-chloro-N-[(2S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxo-2-(2,2,2-trifluoroethylamino)propyl]thiophene-2-carboxamide
CID 91608656
5-chloro-N-[(2S)-2-(cyclopropanecarbonylamino)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 90765807

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide?
The IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide (CID 68883498) is 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide.
What is the SMILES notation for 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide?
The canonical SMILES for 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide is Cc1cc(NC(=O)CC(CC(C)C(N)=O)NC(=O)c2ccc(Cl)s2)ccc1N1CCOCC1=O.
What is the InChIKey of 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide?
The InChIKey is SUMGSCRWLUSOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O5S/c1-13-9-15(3-4-17(13)28-7-8-33-12-21(28)30)26-20(29)11-16(10-14(2)22(25)31)27-23(32)18-5-6-19(24)34-18/h3-6,9,14,16H,7-8,10-12H2,1-2H3,(H2,25,31)(H,26,29)(H,27,32).
What are the key properties of 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide?
4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide has a molecular weight of 507.01 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide is sourced from PubChem (CID 68883498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).