N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide

C20H25NO4S — CID 110315082

IUPACN-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)C(CNC(=O)CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO4S/c1-15(2)13-20(22)21-14-19(16-7-5-4-6-8-16)26(23,24)18-11-9-17(25-3)10-12-18/h4-12,15,19H,13-14H2,1-3H3,(H,21,22)
InChIKeyOPKFKZOPOHBCQG-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.37
Rot. Bonds8

About N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide

N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide (PubChem CID 110315082) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
PubChem CID110315082
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)C(CNC(=O)CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO4S/c1-15(2)13-20(22)21-14-19(16-7-5-4-6-8-16)26(23,24)18-11-9-17(25-3)10-12-18/h4-12,15,19H,13-14H2,1-3H3,(H,21,22)
InChIKeyOPKFKZOPOHBCQG-UHFFFAOYSA-N
XLogP3.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315057
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide
CID 110315083
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 7268431
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one
CID 2884181
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84564652
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
3-(benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 3135155
1-methoxy-4-(2-nitro-1-phenylethyl)sulfonylbenzene
CID 15312289

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide (CID 110315082) is N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide is COc1ccc(S(=O)(=O)C(CNC(=O)CC(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide?
The InChIKey is OPKFKZOPOHBCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15(2)13-20(22)21-14-19(16-7-5-4-6-8-16)26(23,24)18-11-9-17(25-3)10-12-18/h4-12,15,19H,13-14H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide?
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide has a molecular weight of 375.49 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide is sourced from PubChem (CID 110315082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).