N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide

C18H21ClN2OS — CID 119628946

IUPACN-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
SMILESCC(C)(N)CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2OS/c1-18(2,20)12-21-17(22)14-5-3-13(4-6-14)11-23-16-9-7-15(19)8-10-16/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyGNBDMPNVCRUSRG-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.10
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide

N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide (PubChem CID 119628946) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
PubChem CID119628946
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC NameN-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
SMILESCC(C)(N)CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2OS/c1-18(2,20)12-21-17(22)14-5-3-13(4-6-14)11-23-16-9-7-15(19)8-10-16/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyGNBDMPNVCRUSRG-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
CID 119629882
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 8571543
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide
CID 4787365
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2469053
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 8815875
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
CID 115271024
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide (CID 119628946) is N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide is CC(C)(N)CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide?
The InChIKey is GNBDMPNVCRUSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-18(2,20)12-21-17(22)14-5-3-13(4-6-14)11-23-16-9-7-15(19)8-10-16/h3-10H,11-12,20H2,1-2H3,(H,21,22).
What are the key properties of N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide?
N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide has a molecular weight of 348.90 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 119628946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).