N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C16H19N3O3S — CID 78849139

IUPACN-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H19N3O3S/c1-11(10-22-2)17-15(20)13-8-9-14(23-13)19-16(21)18-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeySXPOGARTQCDLSZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.16
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 78849139) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID78849139
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H19N3O3S/c1-11(10-22-2)17-15(20)13-8-9-14(23-13)19-16(21)18-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeySXPOGARTQCDLSZ-UHFFFAOYSA-N
XLogP3.16
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
N-[3-(2-methylpropoxy)propyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849686
N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78853961
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119598682
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846361
N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119582974
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849577
1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea
CID 86806417
N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 86927392

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 78849139) is N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is COCC(C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is SXPOGARTQCDLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11(10-22-2)17-15(20)13-8-9-14(23-13)19-16(21)18-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 78849139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).