2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide

C19H19ClN2O2S — CID 87026412

IUPAC2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C19H19ClN2O2S/c20-17-9-8-14(12-16(17)19(24)22-13-6-7-13)21-18(23)10-11-25-15-4-2-1-3-5-15/h1-5,8-9,12-13H,6-7,10-11H2,(H,21,23)(H,22,24)
InChIKeyUPBAXOJQFLKKGR-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.35
Rot. Bonds7

About 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide

2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide (PubChem CID 87026412) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
PubChem CID87026412
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C19H19ClN2O2S/c20-17-9-8-14(12-16(17)19(24)22-13-6-7-13)21-18(23)10-11-25-15-4-2-1-3-5-15/h1-5,8-9,12-13H,6-7,10-11H2,(H,21,23)(H,22,24)
InChIKeyUPBAXOJQFLKKGR-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
CID 87026452
3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide
CID 26993661
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 1064549
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006
N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 25276318

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide (CID 87026412) is 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide is O=C(CCSc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide?
The InChIKey is UPBAXOJQFLKKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c20-17-9-8-14(12-16(17)19(24)22-13-6-7-13)21-18(23)10-11-25-15-4-2-1-3-5-15/h1-5,8-9,12-13H,6-7,10-11H2,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide?
2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide has a molecular weight of 374.89 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide is sourced from PubChem (CID 87026412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).