5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide

C14H15N3O2S — CID 52555639

IUPAC5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C14H15N3O2S/c1-9-3-8-12(20-9)13(18)16-10-4-6-11(7-5-10)17-14(19)15-2/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeySRUPVIZDIRQFLR-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.06
Rot. Bonds3

About 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide

5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide (PubChem CID 52555639) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
PubChem CID52555639
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C14H15N3O2S/c1-9-3-8-12(20-9)13(18)16-10-4-6-11(7-5-10)17-14(19)15-2/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeySRUPVIZDIRQFLR-UHFFFAOYSA-N
XLogP3.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 36865757
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
5-methyl-N-[4-[C-methyl-N-[(5-methylthiophene-2-carbonyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3448356
methyl N-methyl-N-[4-[(5-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 71937597
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
CID 43744393
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide (CID 52555639) is 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide is CNC(=O)Nc1ccc(NC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is SRUPVIZDIRQFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-3-8-12(20-9)13(18)16-10-4-6-11(7-5-10)17-14(19)15-2/h3-8H,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 52555639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).