(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide

C21H26N2O4S — CID 2210421

IUPAC(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-27-20(17-9-5-4-6-10-17)21(24)22-18-11-13-19(14-12-18)28(25,26)23-15-7-2-3-8-16-23/h4-6,9-14,20H,2-3,7-8,15-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyRWHBUJHLWXHUBF-HXUWFJFHSA-N
MW402.52 g/mol
LogP3.58
Rot. Bonds6

About (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide

(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide (PubChem CID 2210421) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide
PubChem CID2210421
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide
SMILESCO[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-27-20(17-9-5-4-6-10-17)21(24)22-18-11-13-19(14-12-18)28(25,26)23-15-7-2-3-8-16-23/h4-6,9-14,20H,2-3,7-8,15-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyRWHBUJHLWXHUBF-HXUWFJFHSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 125060490
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2928700
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
[(2S)-1-anilino-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557001
(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2369628
[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-phenylacetate
CID 7874721
(2R)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9110381
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 3340600
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-chlorophenoxy)butanamide
CID 43885116
[(1S)-2-methyl-1-phenylpropyl]-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium
CID 9131656
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 25161608

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide (CID 2210421) is (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide?
The InChIKey is RWHBUJHLWXHUBF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-27-20(17-9-5-4-6-10-17)21(24)22-18-11-13-19(14-12-18)28(25,26)23-15-7-2-3-8-16-23/h4-6,9-14,20H,2-3,7-8,15-16H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide?
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide has a molecular weight of 402.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 2210421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).