2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide

C14H13N3O3S — CID 94480093

IUPAC2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N[C@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C14H13N3O3S/c15-12(18)9-6-10(21-7-9)14(20)17-11(13(16)19)8-4-2-1-3-5-8/h1-7,11H,(H2,15,18)(H2,16,19)(H,17,20)/t11-/m0/s1
InChIKeySSGCYMRBCVYXPC-NSHDSACASA-N
MW303.34 g/mol
LogP0.80
Rot. Bonds5

About 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide

2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide (PubChem CID 94480093) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide
PubChem CID94480093
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N[C@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C14H13N3O3S/c15-12(18)9-6-10(21-7-9)14(20)17-11(13(16)19)8-4-2-1-3-5-8/h1-7,11H,(H2,15,18)(H2,16,19)(H,17,20)/t11-/m0/s1
InChIKeySSGCYMRBCVYXPC-NSHDSACASA-N
XLogP0.80
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
N-(2-amino-2-oxo-1-phenylethyl)-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 154839420
2-N-[(2R)-1-phenoxybutan-2-yl]thiophene-2,4-dicarboxamide
CID 95904070
2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide
CID 111112103
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
N-[(2E)-2-amino-2-hydroxyimino-1-phenylethyl]-5-bromothiophene-3-carboxamide
CID 107965133
2-[(2-oxo-2-phenylacetyl)amino]-2-phenylacetamide
CID 13258038
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653858
2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide
CID 95979886
2-N-[1-[4-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
CID 86829165
(2S,3S)-2-[(4-carbamoylthiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194448

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide (CID 94480093) is 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)N[C@H](C(N)=O)c2ccccc2)c1.
What is the InChIKey of 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide?
The InChIKey is SSGCYMRBCVYXPC-NSHDSACASA-N. The full InChI is InChI=1S/C14H13N3O3S/c15-12(18)9-6-10(21-7-9)14(20)17-11(13(16)19)8-4-2-1-3-5-8/h1-7,11H,(H2,15,18)(H2,16,19)(H,17,20)/t11-/m0/s1.
What are the key properties of 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide?
2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide has a molecular weight of 303.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-2-amino-2-oxo-1-phenylethyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 94480093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).