N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide

C17H15Cl2NOS — CID 8623361

IUPACN-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NOS/c18-13-5-8-15(19)16(9-13)22-10-11-1-3-12(4-2-11)17(21)20-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,20,21)
InChIKeyAAZBXVFVXOUOHP-UHFFFAOYSA-N
MW352.29 g/mol
LogP5.18
Rot. Bonds5

About N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide

N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide (PubChem CID 8623361) has the molecular formula C17H15Cl2NOS and a molecular weight of 352.29 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide
PubChem CID8623361
Molecular FormulaC17H15Cl2NOS
Molecular Weight352.29 g/mol
Exact Mass351.03
IUPAC NameN-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NOS/c18-13-5-8-15(19)16(9-13)22-10-11-1-3-12(4-2-11)17(21)20-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,20,21)
InChIKeyAAZBXVFVXOUOHP-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.29
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
CID 55489180
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553938
4-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8756892
2-[4-[(2,5-dichlorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 20989536
2-cyano-N-cyclopropyl-4-(2,5-dichlorophenyl)sulfanyl-3-oxobutanamide
CID 91641622
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-propan-2-ylbenzamide
CID 8589992
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
CID 8909551
3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 66032727
4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-cyclopropylbenzamide
CID 46351140
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide (CID 8623361) is N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide is O=C(NC1CC1)c1ccc(CSc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide?
The InChIKey is AAZBXVFVXOUOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NOS/c18-13-5-8-15(19)16(9-13)22-10-11-1-3-12(4-2-11)17(21)20-14-6-7-14/h1-5,8-9,14H,6-7,10H2,(H,20,21).
What are the key properties of N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide?
N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide has a molecular weight of 352.29 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 8623361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).