2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide

C18H21N3O4S — CID 2104820

IUPAC2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)Nc2sccc2C(N)=O)C(C)C)cc1
InChIInChI=1S/C18H21N3O4S/c1-10(2)14(17(24)21-18-13(15(19)22)8-9-26-18)20-16(23)11-4-6-12(25-3)7-5-11/h4-10,14H,1-3H3,(H2,19,22)(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyKAEBUYLQYGBDQD-AWEZNQCLSA-N
MW375.45 g/mol
LogP2.25
Rot. Bonds7

About 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide (PubChem CID 2104820) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide
PubChem CID2104820
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)Nc2sccc2C(N)=O)C(C)C)cc1
InChIInChI=1S/C18H21N3O4S/c1-10(2)14(17(24)21-18-13(15(19)22)8-9-26-18)20-16(23)11-4-6-12(25-3)7-5-11/h4-10,14H,1-3H3,(H2,19,22)(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyKAEBUYLQYGBDQD-AWEZNQCLSA-N
XLogP2.25
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-(1-pyrrolidinyl)acetamide
CID 2814375
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide
CID 4106590
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2814376
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(3-phenylsulfanylpropylamino)butan-2-yl]benzamide
CID 7999895
2-[[4-(Difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide
CID 2132378
1-(5-(4-((4-Methoxybenzylamino)methyl)phenyl)-3-carbamoylthiophen-2-yl)urea
CID 44560808
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-piperidinoacetamide
CID 2814368
4-Ethyl-2-{[3-(4-methoxyphenyl)propanoyl]amino}-5-methyl-3-thiophenecarboxamide
CID 903679
N-{3-[(diethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-4-methoxybenzamide
CID 1548290
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]benzamide
CID 2649382
ethyl 4-(2-{[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]amino}-2-oxoethyl)tetrahydro-1(2H)-pyrazinecarboxylate
CID 2814378

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide (CID 2104820) is 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide is COc1ccc(C(=O)N[C@H](C(=O)Nc2sccc2C(N)=O)C(C)C)cc1.
What is the InChIKey of 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide?
The InChIKey is KAEBUYLQYGBDQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-10(2)14(17(24)21-18-13(15(19)22)8-9-26-18)20-16(23)11-4-6-12(25-3)7-5-11/h4-10,14H,1-3H3,(H2,19,22)(H,20,23)(H,21,24)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2104820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).