cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

About cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 100846917) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID	100846917
Molecular Formula	C19H28N2O3S
Molecular Weight	364.51 g/mol
Exact Mass	364.18
IUPAC Name	cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILES	CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1(C)C
InChI	InChI=1S/C19H28N2O3S/c1-12(2)10-16-17(19(16,4)5)18(22)20-13(3)14-8-7-9-15(11-14)21-25(6,23)24/h7-11,13,16-17,21H,1-6H3,(H,20,22)/t13-,16+,17-/m0/s1
InChIKey	OLAUODXPKJGNDS-XKQJLSEDSA-N
XLogP	3.47
TPSA	75.27 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.51
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 100846917) is cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1(C)C.

What is the InChIKey of cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

The InChIKey is OLAUODXPKJGNDS-XKQJLSEDSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-12(2)10-16-17(19(16,4)5)18(22)20-13(3)14-8-7-9-15(11-14)21-25(6,23)24/h7-11,13,16-17,21H,1-6H3,(H,20,22)/t13-,16+,17-/m0/s1.

What are the key properties of cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?

cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100846917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).