2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide

C15H22N2O3S — CID 56880805

IUPAC2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide
SMILESCc1ccc(CC2(NC(=O)C(C)NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-11-4-6-13(7-5-11)10-15(8-9-15)16-14(18)12(2)17-21(3,19)20/h4-7,12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyNQEHWJIMYTVRTB-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.12
Rot. Bonds6

About 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide

2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide (PubChem CID 56880805) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide
PubChem CID56880805
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide
SMILESCc1ccc(CC2(NC(=O)C(C)NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-11-4-6-13(7-5-11)10-15(8-9-15)16-14(18)12(2)17-21(3,19)20/h4-7,12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyNQEHWJIMYTVRTB-UHFFFAOYSA-N
XLogP1.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methyl-N-[1-[(4-methylphenyl)methyl]cyclopropyl]pentanamide;hydrochloride
CID 154903605
2-[(1R)-2,2-difluorocyclopropyl]-N-[1-[(4-methylphenyl)methyl]cyclopropyl]acetamide
CID 125447217
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol
CID 106798205
N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
CID 122559595
(2S)-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2-methylsulfanylpropanamide
CID 125438025
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 123851701
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
(4-acetamido-4-benzylpiperidin-1-yl) 4-methylbenzenesulfonate
CID 57108329
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
2-[1-[[(2S)-2-[(4-fluorophenyl)sulfonylamino]propanoyl]amino]cyclobutyl]acetic acid
CID 97324345

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide?
The IUPAC name of 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide (CID 56880805) is 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide is Cc1ccc(CC2(NC(=O)C(C)NS(C)(=O)=O)CC2)cc1.
What is the InChIKey of 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide?
The InChIKey is NQEHWJIMYTVRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-4-6-13(7-5-11)10-15(8-9-15)16-14(18)12(2)17-21(3,19)20/h4-7,12,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide?
2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide has a molecular weight of 310.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[1-[(4-methylphenyl)methyl]cyclopropyl]propanamide is sourced from PubChem (CID 56880805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).