1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

C17H27NO3S — CID 123833696

IUPAC1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESC=CC1(C(=O)NS(=O)(=O)C2(C)CC2)CC1C=CCCCCC
InChIInChI=1S/C17H27NO3S/c1-4-6-7-8-9-10-14-13-17(14,5-2)15(19)18-22(20,21)16(3)11-12-16/h5,9-10,14H,2,4,6-8,11-13H2,1,3H3,(H,18,19)
InChIKeyHCNOIKWBWDZAKX-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.31
Rot. Bonds9

About 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 123833696) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
PubChem CID123833696
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESC=CC1(C(=O)NS(=O)(=O)C2(C)CC2)CC1C=CCCCCC
InChIInChI=1S/C17H27NO3S/c1-4-6-7-8-9-10-14-13-17(14,5-2)15(19)18-22(20,21)16(3)11-12-16/h5,9-10,14H,2,4,6-8,11-13H2,1,3H3,(H,18,19)
InChIKeyHCNOIKWBWDZAKX-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-[(Z)-hept-1-enyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 70831485
1-acetamido-N-(1-methylcyclopropyl)sulfonyl-2-pent-1-enylcyclopropane-1-carboxamide
CID 123213356
carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
CID 70519875
1-(2-methylbutanoylamino)-N-(1-methylcyclopropyl)sulfonyl-2-(5-methylhex-1-enyl)cyclopropane-1-carboxamide
CID 123986973
dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143482
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carboxamide;(1S)-2-[(Z)-hept-1-enyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
CID 143897432
2-hex-1-enyl-1-(propanoylamino)cyclobutane-1-carboxylic acid
CID 123432996
(7S,8S)-7-[(E)-hept-1-enyl]-8-hydroxy-8-methyl-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 15548280
1-N,3-N,5-N-tris(icos-9-enyl)-1,3,5-trimethylcyclohexane-1,3,5-tricarboxamide
CID 91581530
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
(2S)-1-formyl-N-[(1R,2S)-2-[(Z)-hept-1-enyl]-1-[(2-methylphenyl)sulfonylcarbamoyl]cyclopropyl]pyrrolidine-2-carboxamide
CID 89084423
(1R,2R,4S)-N-[(1R,2S)-2-[(Z)-6-(dimethylamino)hex-1-enyl]-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-2-formyl-4-(2-methoxy-6-phenylpyrimidin-4-yl)oxycyclopentane-1-carboxamide
CID 149281497

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (CID 123833696) is 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is C=CC1(C(=O)NS(=O)(=O)C2(C)CC2)CC1C=CCCCCC.
What is the InChIKey of 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is HCNOIKWBWDZAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-4-6-7-8-9-10-14-13-17(14,5-2)15(19)18-22(20,21)16(3)11-12-16/h5,9-10,14H,2,4,6-8,11-13H2,1,3H3,(H,18,19).
What are the key properties of 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 325.47 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-hept-1-enyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 123833696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).