2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

C21H19ClN2O3S — CID 8555309

IUPAC2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C(=O)CSc1ccccc1Cl)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H19ClN2O3S/c1-24(20(25)14-28-19-11-5-3-9-17(19)22)18-10-4-2-8-16(18)21(26)23-13-15-7-6-12-27-15/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyRSZRMVVQSXETJP-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.62
Rot. Bonds7

About 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 8555309) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID8555309
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C(=O)CSc1ccccc1Cl)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H19ClN2O3S/c1-24(20(25)14-28-19-11-5-3-9-17(19)22)18-10-4-2-8-16(18)21(26)23-13-15-7-6-12-27-15/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyRSZRMVVQSXETJP-UHFFFAOYSA-N
XLogP4.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 18166628
2-[[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 55506143
2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 55410554
N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9165300
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 8913720
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate
CID 18154760
2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 55340134
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 78818353
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-hydroxybenzoate
CID 55397483
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 55399444
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55403926

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (CID 8555309) is 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is CN(C(=O)CSc1ccccc1Cl)c1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RSZRMVVQSXETJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-24(20(25)14-28-19-11-5-3-9-17(19)22)18-10-4-2-8-16(18)21(26)23-13-15-7-6-12-27-15/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 414.91 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 8555309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).