5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide

C14H10ClN3O3S — CID 112526748

IUPAC5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide
SMILESCc1cc2cccc(NC(=O)c3cc([N+](=O)[O-])c(Cl)s3)c2[nH]1
InChIInChI=1S/C14H10ClN3O3S/c1-7-5-8-3-2-4-9(12(8)16-7)17-14(19)11-6-10(18(20)21)13(15)22-11/h2-6,16H,1H3,(H,17,19)
InChIKeyPWONAFCUNCFSMW-UHFFFAOYSA-N
MW335.77 g/mol
LogP4.35
Rot. Bonds3

About 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide

5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide (PubChem CID 112526748) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide
PubChem CID112526748
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide
SMILESCc1cc2cccc(NC(=O)c3cc([N+](=O)[O-])c(Cl)s3)c2[nH]1
InChIInChI=1S/C14H10ClN3O3S/c1-7-5-8-3-2-4-9(12(8)16-7)17-14(19)11-6-10(18(20)21)13(15)22-11/h2-6,16H,1H3,(H,17,19)
InChIKeyPWONAFCUNCFSMW-UHFFFAOYSA-N
XLogP4.35
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-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-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide
CID 84575839
5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476546
N-(1H-benzimidazol-4-yl)-5-chloro-4-nitrothiophene-2-carboxamide
CID 112523084
5-chloro-N-(2,4-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476480
5-chloro-N-(3-chlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476388
5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide
CID 84576319
5-chloro-4-nitro-N-pyrimidin-5-ylthiophene-2-carboxamide
CID 112524129
N-(2-methyl-1H-indol-7-yl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 112526760
5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-nitrothiophene-2-carboxamide
CID 84575934
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
N-[2-(methoxymethyl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 47047327
5-[(3,5-dichloro-4-pyridinyl)sulfanyl]-4-nitro-N-quinolin-8-ylthiophene-2-carboxamide
CID 46932810

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide (CID 112526748) is 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide is Cc1cc2cccc(NC(=O)c3cc([N+](=O)[O-])c(Cl)s3)c2[nH]1.
What is the InChIKey of 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide?
The InChIKey is PWONAFCUNCFSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c1-7-5-8-3-2-4-9(12(8)16-7)17-14(19)11-6-10(18(20)21)13(15)22-11/h2-6,16H,1H3,(H,17,19).
What are the key properties of 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide?
5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide is sourced from PubChem (CID 112526748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).