N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide

C17H11Cl2NOS2 — CID 2820818

IUPACN-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cscc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2NOS2/c18-11-1-5-13(6-2-11)20-17(21)15-9-22-10-16(15)23-14-7-3-12(19)4-8-14/h1-10H,(H,20,21)
InChIKeyMCGVAEYDDHSECY-UHFFFAOYSA-N
MW380.32 g/mol
LogP6.46
Rot. Bonds4

About N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide

N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide (PubChem CID 2820818) has the molecular formula C17H11Cl2NOS2 and a molecular weight of 380.32 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide
PubChem CID2820818
Molecular FormulaC17H11Cl2NOS2
Molecular Weight380.32 g/mol
Exact Mass378.97
IUPAC NameN-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cscc1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2NOS2/c18-11-1-5-13(6-2-11)20-17(21)15-9-22-10-16(15)23-14-7-3-12(19)4-8-14/h1-10H,(H,20,21)
InChIKeyMCGVAEYDDHSECY-UHFFFAOYSA-N
XLogP6.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-chlorophenyl)sulfanylthiophene-3-carboxylate
CID 2778937
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
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4-(4-chlorophenyl)sulfanyl-N-[(4-pentoxyphenyl)carbamothioyl]thiophene-3-carboxamide
CID 59786842
N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide
CID 122146631
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
N-[4-(4-bromophenyl)sulfanylphenyl]-2-chloro-4,5-difluorobenzamide
CID 2116645
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
4-[4-(4-chlorophenyl)sulfanylanilino]-4-oxobutanoic acid
CID 15943018
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
CID 102504156
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-(3-chloro-4-fluorophenyl)-2-(4-sulfamoylphenyl)sulfanylbenzamide
CID 75534018

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide (CID 2820818) is N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cscc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide?
The InChIKey is MCGVAEYDDHSECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NOS2/c18-11-1-5-13(6-2-11)20-17(21)15-9-22-10-16(15)23-14-7-3-12(19)4-8-14/h1-10H,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide?
N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide has a molecular weight of 380.32 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanylthiophene-3-carboxamide is sourced from PubChem (CID 2820818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).