4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide

C19H23NO4S — CID 47042681

IUPAC4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccccc1C(C)NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO4S/c1-13(2)24-18-8-6-5-7-17(18)14(3)20-19(21)15-9-11-16(12-10-15)25(4,22)23/h5-14H,1-4H3,(H,20,21)
InChIKeyPBIHNJUQSPPGPY-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.37
Rot. Bonds6

About 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide

4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 47042681) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID47042681
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccccc1C(C)NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO4S/c1-13(2)24-18-8-6-5-7-17(18)14(3)20-19(21)15-9-11-16(12-10-15)25(4,22)23/h5-14H,1-4H3,(H,20,21)
InChIKeyPBIHNJUQSPPGPY-UHFFFAOYSA-N
XLogP3.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 26618887
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
2-(propan-2-ylamino)-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 60841302
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
CID 43701721
4-(chloromethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81389735
4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719116

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide (CID 47042681) is 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide is CC(C)Oc1ccccc1C(C)NC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is PBIHNJUQSPPGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13(2)24-18-8-6-5-7-17(18)14(3)20-19(21)15-9-11-16(12-10-15)25(4,22)23/h5-14H,1-4H3,(H,20,21).
What are the key properties of 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide?
4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 361.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 47042681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).