3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide

C20H16Cl2N2O4S2 — CID 18376665

IUPAC3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2scc(S(C)(=O)=O)c2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16Cl2N2O4S2/c1-11-3-8-15(14(9-11)19(25)23-13-6-4-12(21)5-7-13)24-20(26)18-17(22)16(10-29-18)30(2,27)28/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKeyVSNGAWQSZPNZQT-UHFFFAOYSA-N
MW483.40 g/mol
LogP5.27
Rot. Bonds5

About 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide

3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 18376665) has the molecular formula C20H16Cl2N2O4S2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide
PubChem CID18376665
Molecular FormulaC20H16Cl2N2O4S2
Molecular Weight483.40 g/mol
Exact Mass481.99
IUPAC Name3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2scc(S(C)(=O)=O)c2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16Cl2N2O4S2/c1-11-3-8-15(14(9-11)19(25)23-13-6-4-12(21)5-7-13)24-20(26)18-17(22)16(10-29-18)30(2,27)28/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKeyVSNGAWQSZPNZQT-UHFFFAOYSA-N
XLogP5.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(methanesulfinylmethyl)thiophene-2-carboxamide
CID 10028986
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[2-[[(4-chlorophenyl)amino]carbonyl]-4-methylphenyl]-
CID 10411684
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[3-(dimethylamino)propyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376642
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[2-(diethylamino)ethyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376719
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)thiophene-2-carboxamide
CID 18376832
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(methylsulfanyl)methyl]thiophene-2-carboxamide
CID 18376839
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-{[methyl(1-methylpiperidin-4-yl)amino]methyl}thiophene-2-carboxamide
CID 18376905
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-methylthiophene-2-carboxamide
CID 18376748
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(thiomorpholin-4-ylmethyl)thiophene-2-carboxamide
CID 18376780
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(methanesulfonylmethyl)thiophene-2-carboxamide
CID 18376871
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4,5-bis[(propylamino)methyl]thiophene-2-carboxamide
CID 18376919
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[2-(dimethylamino)ethyl]sulfanyl}methyl)thiophene-2-carboxamide
CID 18376930

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide (CID 18376665) is 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2scc(S(C)(=O)=O)c2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is VSNGAWQSZPNZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4S2/c1-11-3-8-15(14(9-11)19(25)23-13-6-4-12(21)5-7-13)24-20(26)18-17(22)16(10-29-18)30(2,27)28/h3-10H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide?
3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 483.40 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-4-methylphenyl]-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 18376665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).