3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide

C20H26N2O3S — CID 36614257

IUPAC3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-13(2)16-8-10-17(11-9-16)15(4)21-20(23)18-7-6-14(3)19(12-18)22-26(5,24)25/h6-13,15,22H,1-5H3,(H,21,23)/t15-/m1/s1
InChIKeyDTWIPXTWBRCDBG-OAHLLOKOSA-N
MW374.51 g/mol
LogP3.98
Rot. Bonds6

About 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide

3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 36614257) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID36614257
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-13(2)16-8-10-17(11-9-16)15(4)21-20(23)18-7-6-14(3)19(12-18)22-26(5,24)25/h6-13,15,22H,1-5H3,(H,21,23)/t15-/m1/s1
InChIKeyDTWIPXTWBRCDBG-OAHLLOKOSA-N
XLogP3.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 93486317
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 53281833
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119225437
N-[1-(4-ethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 133228176
3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 99443545
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058
3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
CID 41448762
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
3-chloro-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 38015785
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide (CID 36614257) is 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide is Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is DTWIPXTWBRCDBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-13(2)16-8-10-17(11-9-16)15(4)21-20(23)18-7-6-14(3)19(12-18)22-26(5,24)25/h6-13,15,22H,1-5H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide?
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 36614257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).