5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide

C20H19N3O2S — CID 78846553

IUPAC5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14(15-8-4-2-5-9-15)21-19(24)17-12-13-18(26-17)23-20(25)22-16-10-6-3-7-11-16/h2-14H,1H3,(H,21,24)(H2,22,23,25)
InChIKeyNSSDNZFZSOVWDJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.88
Rot. Bonds5

About 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide

5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide (PubChem CID 78846553) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
PubChem CID78846553
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C20H19N3O2S/c1-14(15-8-4-2-5-9-15)21-19(24)17-12-13-18(26-17)23-20(25)22-16-10-6-3-7-11-16/h2-14H,1H3,(H,21,24)(H2,22,23,25)
InChIKeyNSSDNZFZSOVWDJ-UHFFFAOYSA-N
XLogP4.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(phenylcarbamoylamino)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
CID 78849677
N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849139
N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846361
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119598682
5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 42928444
1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea
CID 86806417
N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119582974
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 16897031
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849577
N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849686
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347

Frequently Asked Questions

What is the IUPAC name of 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide (CID 78846553) is 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide is CC(NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)c1ccccc1.
What is the InChIKey of 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide?
The InChIKey is NSSDNZFZSOVWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14(15-8-4-2-5-9-15)21-19(24)17-12-13-18(26-17)23-20(25)22-16-10-6-3-7-11-16/h2-14H,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide?
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 78846553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).