(2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide

C17H26N2O3S — CID 95329415

IUPAC(2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
SMILESCC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-4-13(2)15(19-23(3,21)22)16(20)18-12-17(10-11-17)14-8-6-5-7-9-14/h5-9,13,15,19H,4,10-12H2,1-3H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyFLJVPOUKHJEHJN-DZGCQCFKSA-N
MW338.47 g/mol
LogP1.80
Rot. Bonds8

About (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide

(2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide (PubChem CID 95329415) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name(2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
PubChem CID95329415
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
SMILESCC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-4-13(2)15(19-23(3,21)22)16(20)18-12-17(10-11-17)14-8-6-5-7-9-14/h5-9,13,15,19H,4,10-12H2,1-3H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyFLJVPOUKHJEHJN-DZGCQCFKSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 94615950
(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 30664714
2-methyl-N-[2-[[N'-methyl-N-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111856360
2-amino-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119276377
2-(diethylamino)-2-phenyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56538633
(2S)-N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 6935034
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 119069555
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
CID 110471120
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide?
The IUPAC name of (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide (CID 95329415) is (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide?
The canonical SMILES for (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide is CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide?
The InChIKey is FLJVPOUKHJEHJN-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-13(2)15(19-23(3,21)22)16(20)18-12-17(10-11-17)14-8-6-5-7-9-14/h5-9,13,15,19H,4,10-12H2,1-3H3,(H,18,20)/t13-,15+/m0/s1.
What are the key properties of (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide?
(2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide has a molecular weight of 338.47 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(methanesulfonamido)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 95329415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).