N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C19H17N3O2S2 — CID 78846361

IUPACN-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H17N3O2S2/c1-25-15-10-6-5-9-14(15)21-18(23)16-11-12-17(26-16)22-19(24)20-13-7-3-2-4-8-13/h2-12H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyBXSSPWGQPNGUJL-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.37
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 78846361) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID78846361
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H17N3O2S2/c1-25-15-10-6-5-9-14(15)21-18(23)16-11-12-17(26-16)22-19(24)20-13-7-3-2-4-8-13/h2-12H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyBXSSPWGQPNGUJL-UHFFFAOYSA-N
XLogP5.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 86877990
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
5-(phenylcarbamoylamino)-N-quinolin-8-ylthiophene-2-carboxamide
CID 78846872
N-(5-chloro-2-methoxyphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846561
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849662
(E)-3-[5-[(2-methylsulfanylphenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 107642897
1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea
CID 86806417
N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849139
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119598682
N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849686
N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78853961

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 78846361) is N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is CSc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is BXSSPWGQPNGUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-25-15-10-6-5-9-14(15)21-18(23)16-11-12-17(26-16)22-19(24)20-13-7-3-2-4-8-13/h2-12H,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 5.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 78846361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).