N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide

C20H25NOS — CID 143174148

IUPACN-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide
SMILESC=C/C=C(\C=C)CC(C)(C)NC(=O)C1(Sc2ccccc2)CC1
InChIInChI=1S/C20H25NOS/c1-5-10-16(6-2)15-19(3,4)21-18(22)20(13-14-20)23-17-11-8-7-9-12-17/h5-12H,1-2,13-15H2,3-4H3,(H,21,22)/b16-10+
InChIKeyRIMTYSSLZCZTLQ-MHWRWJLKSA-N
MW327.49 g/mol
LogP4.89
Rot. Bonds8

About N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide

N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide (PubChem CID 143174148) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide
PubChem CID143174148
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC NameN-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide
SMILESC=C/C=C(\C=C)CC(C)(C)NC(=O)C1(Sc2ccccc2)CC1
InChIInChI=1S/C20H25NOS/c1-5-10-16(6-2)15-19(3,4)21-18(22)20(13-14-20)23-17-11-8-7-9-12-17/h5-12H,1-2,13-15H2,3-4H3,(H,21,22)/b16-10+
InChIKeyRIMTYSSLZCZTLQ-MHWRWJLKSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-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

N-tert-butyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 900385
4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one
CID 326887
N-tert-Butyl-2-p-tolylsulfanyl-acetamide
CID 846783
n-(Tert-butyl)-3-(phenylthio)propanamide
CID 875421
N-tert-butyl-2-(phenylsulfanyl)propanamide
CID 2889192
N-tert-butyl-2-[(4-methylphenyl)sulfanyl]propanamide
CID 2943661
N-tert-butyl-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 3434565
3-(2-fluorophenyl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 52559675
N-tert-butyl-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 60666996
N-tert-butyl-3-(2-fluorophenyl)sulfanylpropanamide
CID 60677961
N-tert-butyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 60699301
2-(4-fluorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 78790467

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide (CID 143174148) is N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide is C=C/C=C(\C=C)CC(C)(C)NC(=O)C1(Sc2ccccc2)CC1.
What is the InChIKey of N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide?
The InChIKey is RIMTYSSLZCZTLQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C20H25NOS/c1-5-10-16(6-2)15-19(3,4)21-18(22)20(13-14-20)23-17-11-8-7-9-12-17/h5-12H,1-2,13-15H2,3-4H3,(H,21,22)/b16-10+.
What are the key properties of N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide?
N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide has a molecular weight of 327.49 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-ethenyl-2-methylhepta-4,6-dien-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 143174148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).