N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide

C21H19ClN2O3S — CID 9165300

IUPACN-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESO=C(CSc1ccccc1C(=O)NCc1ccccc1Cl)NCc1ccco1
InChIInChI=1S/C21H19ClN2O3S/c22-18-9-3-1-6-15(18)12-24-21(26)17-8-2-4-10-19(17)28-14-20(25)23-13-16-7-5-11-27-16/h1-11H,12-14H2,(H,23,25)(H,24,26)
InChIKeyGWSLMASRLYZUJQ-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.27
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide

N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 9165300) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID9165300
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESO=C(CSc1ccccc1C(=O)NCc1ccccc1Cl)NCc1ccco1
InChIInChI=1S/C21H19ClN2O3S/c22-18-9-3-1-6-15(18)12-24-21(26)17-8-2-4-10-19(17)28-14-20(25)23-13-16-7-5-11-27-16/h1-11H,12-14H2,(H,23,25)(H,24,26)
InChIKeyGWSLMASRLYZUJQ-UHFFFAOYSA-N
XLogP4.27
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9224560
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 17441492
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 8555309
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834815
N-[4-(cyanomethyl)phenyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9260214
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate
CID 8555349
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-8-ylbenzamide
CID 8024111
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(3-nitrophenyl)benzamide
CID 9411068
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide (CID 9165300) is N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide is O=C(CSc1ccccc1C(=O)NCc1ccccc1Cl)NCc1ccco1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is GWSLMASRLYZUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c22-18-9-3-1-6-15(18)12-24-21(26)17-8-2-4-10-19(17)28-14-20(25)23-13-16-7-5-11-27-16/h1-11H,12-14H2,(H,23,25)(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide?
N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 414.91 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 9165300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).