N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide

C20H18N2O2S — CID 7329890

IUPACN-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
SMILESCc1cccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O2S/c1-14-7-5-10-16(13-14)21-19(18(23)15-8-3-2-4-9-15)22-20(24)17-11-6-12-25-17/h2-13,19,21H,1H3,(H,22,24)/t19-/m0/s1
InChIKeyKJDJQKFSVOFKKR-IBGZPJMESA-N
MW350.44 g/mol
LogP4.11
Rot. Bonds6

About N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide

N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide (PubChem CID 7329890) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
PubChem CID7329890
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
SMILESCc1cccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O2S/c1-14-7-5-10-16(13-14)21-19(18(23)15-8-3-2-4-9-15)22-20(24)17-11-6-12-25-17/h2-13,19,21H,1H3,(H,22,24)/t19-/m0/s1
InChIKeyKJDJQKFSVOFKKR-IBGZPJMESA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 1000427
N-[1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109865
N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 985107
N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 1324863
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 7116359
N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 4526208
N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 34311100
N-[1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 44615435
N-[1-(3-chloro-4-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 2918908
N-[1-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109877
N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
CID 7470378
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide (CID 7329890) is N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide is Cc1cccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
The InChIKey is KJDJQKFSVOFKKR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-7-5-10-16(13-14)21-19(18(23)15-8-3-2-4-9-15)22-20(24)17-11-6-12-25-17/h2-13,19,21H,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide?
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7329890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).