N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide

C19H20Cl2N4O3S2 — CID 55771812

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H20Cl2N4O3S2/c1-11(29-19-23-15-9-12(20)5-8-16(15)25(19)4)18(26)22-13-6-7-14(21)17(10-13)30(27,28)24(2)3/h5-11H,1-4H3,(H,22,26)
InChIKeyYPAUBNIBXCDTQK-UHFFFAOYSA-N
MW487.43 g/mol
LogP4.25
Rot. Bonds6

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 55771812) has the molecular formula C19H20Cl2N4O3S2 and a molecular weight of 487.43 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID55771812
Molecular FormulaC19H20Cl2N4O3S2
Molecular Weight487.43 g/mol
Exact Mass486.04
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCC(Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H20Cl2N4O3S2/c1-11(29-19-23-15-9-12(20)5-8-16(15)25(19)4)18(26)22-13-6-7-14(21)17(10-13)30(27,28)24(2)3/h5-11H,1-4H3,(H,22,26)
InChIKeyYPAUBNIBXCDTQK-UHFFFAOYSA-N
XLogP4.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 43014157
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CID 55418227
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46617238
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 55772076
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46519193
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 55772201
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 55426440
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 7024220
5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole
CID 52644652
(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 9460403
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250051
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide (CID 55771812) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide is CC(Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is YPAUBNIBXCDTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3S2/c1-11(29-19-23-15-9-12(20)5-8-16(15)25(19)4)18(26)22-13-6-7-14(21)17(10-13)30(27,28)24(2)3/h5-11H,1-4H3,(H,22,26).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 487.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 55771812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).