N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide

C13H14N2OS — CID 91475196

IUPACN-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide
SMILESCCSc1ccc(NC(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C13H14N2OS/c1-2-17-12-5-3-11(4-6-12)15-13(16)10-7-8-14-9-10/h3-9,14H,2H2,1H3,(H,15,16)
InChIKeyMWRFSJJQBZTTAB-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.38
Rot. Bonds4

About N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide

N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 91475196) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID91475196
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide
SMILESCCSc1ccc(NC(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C13H14N2OS/c1-2-17-12-5-3-11(4-6-12)15-13(16)10-7-8-14-9-10/h3-9,14H,2H2,1H3,(H,15,16)
InChIKeyMWRFSJJQBZTTAB-UHFFFAOYSA-N
XLogP3.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-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

N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
CID 141038982
N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691221
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 22777816
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
N-[3-fluoro-4-[2-fluoro-4-(methylamino)anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 139398477
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide (CID 91475196) is N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide is CCSc1ccc(NC(=O)c2cc[nH]c2)cc1.
What is the InChIKey of N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is MWRFSJJQBZTTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-17-12-5-3-11(4-6-12)15-13(16)10-7-8-14-9-10/h3-9,14H,2H2,1H3,(H,15,16).
What are the key properties of N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide?
N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91475196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).