2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide

C23H30N2O3S — CID 86905785

IUPAC2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCC1(NC(C)c2ccccc2)CCCC1
InChIInChI=1S/C23H30N2O3S/c1-17-11-12-20(29(3,27)28)15-21(17)22(26)24-16-23(13-7-8-14-23)25-18(2)19-9-5-4-6-10-19/h4-6,9-12,15,18,25H,7-8,13-14,16H2,1-3H3,(H,24,26)
InChIKeyXLCGGUZMNLMRMQ-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.79
Rot. Bonds7

About 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide

2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide (PubChem CID 86905785) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide
PubChem CID86905785
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCC1(NC(C)c2ccccc2)CCCC1
InChIInChI=1S/C23H30N2O3S/c1-17-11-12-20(29(3,27)28)15-21(17)22(26)24-16-23(13-7-8-14-23)25-18(2)19-9-5-4-6-10-19/h4-6,9-12,15,18,25H,7-8,13-14,16H2,1-3H3,(H,24,26)
InChIKeyXLCGGUZMNLMRMQ-UHFFFAOYSA-N
XLogP3.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
CID 120646718
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]methanesulfonamide
CID 95331020
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
1-[(2-methyl-5-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 75460812
(2S)-2-hydroxy-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]butanoic acid
CID 107834458
2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
CID 124625809
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570
2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
CID 119432199
2-[[(2-methyl-5-methylsulfonylbenzoyl)amino]methyl]butanoic acid
CID 65217875

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide (CID 86905785) is 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC1(NC(C)c2ccccc2)CCCC1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide?
The InChIKey is XLCGGUZMNLMRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-11-12-20(29(3,27)28)15-21(17)22(26)24-16-23(13-7-8-14-23)25-18(2)19-9-5-4-6-10-19/h4-6,9-12,15,18,25H,7-8,13-14,16H2,1-3H3,(H,24,26).
What are the key properties of 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide?
2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide has a molecular weight of 414.57 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 86905785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).