cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

C18H26N2O3S — CID 31317091

IUPACcis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C18H26N2O3S/c1-11(2)10-15-16(18(15,4)5)17(21)20-12(3)13-6-8-14(9-7-13)24(19,22)23/h6-10,12,15-16H,1-5H3,(H,20,21)(H2,19,22,23)/t12-,15+,16-/m0/s1
InChIKeyAKQXXCRRUPDIOP-MAZHCROVSA-N
MW350.48 g/mol
LogP2.75
Rot. Bonds5

About cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide

cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 31317091) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID31317091
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C18H26N2O3S/c1-11(2)10-15-16(18(15,4)5)17(21)20-12(3)13-6-8-14(9-7-13)24(19,22)23/h6-10,12,15-16H,1-5H3,(H,20,21)(H2,19,22,23)/t12-,15+,16-/m0/s1
InChIKeyAKQXXCRRUPDIOP-MAZHCROVSA-N
XLogP2.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 31317098
trans-(1S,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100846919
cis-(1R,3R)-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100846917
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24560070
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 154836497
2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835939
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide (CID 31317091) is cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1(C)C.
What is the InChIKey of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is AKQXXCRRUPDIOP-MAZHCROVSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-11(2)10-15-16(18(15,4)5)17(21)20-12(3)13-6-8-14(9-7-13)24(19,22)23/h6-10,12,15-16H,1-5H3,(H,20,21)(H2,19,22,23)/t12-,15+,16-/m0/s1.
What are the key properties of cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide?
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 31317091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).