N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide

C14H13ClN2O2S — CID 47249430

IUPACN-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C14H13ClN2O2S/c1-8-3-6-12(20-8)14(19)17-11-7-9(13(18)16-2)4-5-10(11)15/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyPMGAICPRSMPFRW-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.32
Rot. Bonds3

About N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide

N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 47249430) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID47249430
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C14H13ClN2O2S/c1-8-3-6-12(20-8)14(19)17-11-7-9(13(18)16-2)4-5-10(11)15/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyPMGAICPRSMPFRW-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
CID 43358861
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60794257
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
CID 79796922
3-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 66484687
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 86821543
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60794828
4-chloro-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030925

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide (CID 47249430) is N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide is CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)s2)c1.
What is the InChIKey of N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is PMGAICPRSMPFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-8-3-6-12(20-8)14(19)17-11-7-9(13(18)16-2)4-5-10(11)15/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide?
N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 47249430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).