N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C21H20ClN3O3S — CID 55668921

IUPACN-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C21H20ClN3O3S/c1-25(29(27,28)19-8-5-13-23-14-19)15-20(26)24-21(16-6-3-2-4-7-16)17-9-11-18(22)12-10-17/h2-14,21H,15H2,1H3,(H,24,26)
InChIKeyWUGBTTZUMFXRMQ-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.26
Rot. Bonds7

About N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 55668921) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID55668921
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C21H20ClN3O3S/c1-25(29(27,28)19-8-5-13-23-14-19)15-20(26)24-21(16-6-3-2-4-7-16)17-9-11-18(22)12-10-17/h2-14,21H,15H2,1H3,(H,24,26)
InChIKeyWUGBTTZUMFXRMQ-UHFFFAOYSA-N
XLogP3.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668935
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666005
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55779481
N-benzhydryl-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45372774
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46463730

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 55668921) is N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CN(CC(=O)NC(c1ccccc1)c1ccc(Cl)cc1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is WUGBTTZUMFXRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-25(29(27,28)19-8-5-13-23-14-19)15-20(26)24-21(16-6-3-2-4-7-16)17-9-11-18(22)12-10-17/h2-14,21H,15H2,1H3,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 429.93 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55668921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).