N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide

C20H25NO2S — CID 11439328

IUPACN-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide
SMILESCNC(=O)c1ccccc1[S@@](=O)[C@H](CCC(C)C)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-15(2)13-14-18(16-9-5-4-6-10-16)24(23)19-12-8-7-11-17(19)20(22)21-3/h4-12,15,18H,13-14H2,1-3H3,(H,21,22)/t18-,24+/m1/s1
InChIKeyJRIWXJUQKFSQHQ-KOSHJBKYSA-N
MW343.49 g/mol
LogP4.33
Rot. Bonds7

About N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide

N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide (PubChem CID 11439328) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide
PubChem CID11439328
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide
SMILESCNC(=O)c1ccccc1[S@@](=O)[C@H](CCC(C)C)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-15(2)13-14-18(16-9-5-4-6-10-16)24(23)19-12-8-7-11-17(19)20(22)21-3/h4-12,15,18H,13-14H2,1-3H3,(H,21,22)/t18-,24+/m1/s1
InChIKeyJRIWXJUQKFSQHQ-KOSHJBKYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid
CID 10542460
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CID 161462553
N-methyl-4,4-diphenylbutanamide
CID 125470248
N-methylbenzamide
CID 11954
lithium ethyl-[[2-(methylcarbamoyl)phenyl]-phenylmethyl]azanide
CID 10564232
7-methyl-2-phenyloctanoic acid
CID 83162771
1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581
N-methyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43683632
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide
CID 39952272
5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate
CID 11888553

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide?
The IUPAC name of N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide (CID 11439328) is N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide.
What is the SMILES notation for N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide?
The canonical SMILES for N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide is CNC(=O)c1ccccc1[S@@](=O)[C@H](CCC(C)C)c1ccccc1.
What is the InChIKey of N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide?
The InChIKey is JRIWXJUQKFSQHQ-KOSHJBKYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-15(2)13-14-18(16-9-5-4-6-10-16)24(23)19-12-8-7-11-17(19)20(22)21-3/h4-12,15,18H,13-14H2,1-3H3,(H,21,22)/t18-,24+/m1/s1.
What are the key properties of N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide?
N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide has a molecular weight of 343.49 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(S)-[(1R)-4-methyl-1-phenylpentyl]sulfinyl]benzamide is sourced from PubChem (CID 11439328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).