N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C22H17ClN2O3S2 — CID 60579989

IUPACN-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NC(c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C22H17ClN2O3S2/c1-13-11-18(24-21(26)17-3-2-9-28-17)30-20(13)22(27)25-19(15-8-10-29-12-15)14-4-6-16(23)7-5-14/h2-12,19H,1H3,(H,24,26)(H,25,27)
InChIKeyNHGFAXAZJOFWKB-UHFFFAOYSA-N
MW456.98 g/mol
LogP6.14
Rot. Bonds6

About N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 60579989) has the molecular formula C22H17ClN2O3S2 and a molecular weight of 456.98 g/mol. Its IUPAC name is N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID60579989
Molecular FormulaC22H17ClN2O3S2
Molecular Weight456.98 g/mol
Exact Mass456.04
IUPAC NameN-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NC(c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C22H17ClN2O3S2/c1-13-11-18(24-21(26)17-3-2-9-28-17)30-20(13)22(27)25-19(15-8-10-29-12-15)14-4-6-16(23)7-5-14/h2-12,19H,1H3,(H,24,26)(H,25,27)
InChIKeyNHGFAXAZJOFWKB-UHFFFAOYSA-N
XLogP6.14
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.98
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-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

N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 42932542
N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[(2-chloro-4-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 86857844
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid
CID 120702247
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 64590791
N-[5-[[4-(cyanomethyl)phenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35708139
N-[4-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33318793

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 60579989) is N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC(c1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is NHGFAXAZJOFWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S2/c1-13-11-18(24-21(26)17-3-2-9-28-17)30-20(13)22(27)25-19(15-8-10-29-12-15)14-4-6-16(23)7-5-14/h2-12,19H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 456.98 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(4-chlorophenyl)-thiophen-3-ylmethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 60579989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).