[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate

C17H17N3O5S — CID 2099403

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C17H17N3O5S/c1-10(19-15(23)11-5-3-2-4-6-11)17(24)25-9-13(21)20-16-12(14(18)22)7-8-26-16/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,23)(H,20,21)/t10-/m0/s1
InChIKeyHDKMFZPBCJIKQD-JTQLQIEISA-N
MW375.41 g/mol
LogP1.15
Rot. Bonds7

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate (PubChem CID 2099403) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
PubChem CID2099403
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C17H17N3O5S/c1-10(19-15(23)11-5-3-2-4-6-11)17(24)25-9-13(21)20-16-12(14(18)22)7-8-26-16/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,23)(H,20,21)/t10-/m0/s1
InChIKeyHDKMFZPBCJIKQD-JTQLQIEISA-N
XLogP1.15
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate with MolForge

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Related Compounds

2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide
CID 53383641
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2340519
[2-(2-Cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2409339
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
N-methyl-2-(4-(morpholinosulfonyl)benzamido)thiophene-3-carboxamide
CID 4075803
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4283704
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 4310744
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylacetate
CID 4855055
[1-(3-Acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 5057095
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877621
2-[[(2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]amino]thiophene-3-carboxamide
CID 8083216

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate (CID 2099403) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate is C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate?
The InChIKey is HDKMFZPBCJIKQD-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-10(19-15(23)11-5-3-2-4-6-11)17(24)25-9-13(21)20-16-12(14(18)22)7-8-26-16/h2-8,10H,9H2,1H3,(H2,18,22)(H,19,23)(H,20,21)/t10-/m0/s1.
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate has a molecular weight of 375.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate is sourced from PubChem (CID 2099403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).