N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide

C18H25NO3S — CID 177217614

IUPACN-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide
SMILESC=CCCCC1CCCC1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25NO3S/c1-3-4-5-7-15-8-6-9-17(15)18(20)19-23(21,22)16-12-10-14(2)11-13-16/h3,10-13,15,17H,1,4-9H2,2H3,(H,19,20)
InChIKeyHAZJMJNNRZJOKK-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.57
Rot. Bonds7

About N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide

N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide (PubChem CID 177217614) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide
PubChem CID177217614
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC NameN-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide
SMILESC=CCCCC1CCCC1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25NO3S/c1-3-4-5-7-15-8-6-9-17(15)18(20)19-23(21,22)16-12-10-14(2)11-13-16/h3,10-13,15,17H,1,4-9H2,2H3,(H,19,20)
InChIKeyHAZJMJNNRZJOKK-UHFFFAOYSA-N
XLogP3.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.57
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'}

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Related Compounds

N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 103308898
1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea
CID 102483434
N-(4-methylphenyl)sulfonyl-2,6-dioxocyclohexane-1-carboxamide
CID 86016968
S-prop-2-enyl N-(4-methylphenyl)sulfonylcarbamothioate
CID 88768451
3-(4-methylphenyl)sulfonyl-1,1-bis(prop-2-enyl)urea
CID 4628428
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
(4-methylphenyl)sulfonylurea;urea
CID 160676948
4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide
CID 177217634
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 71475860
N-[(E)-4-[(1S,2R)-2-(2,2-diphenylhydrazinyl)cyclopentyl]butylideneamino]-4-methylbenzenesulfonamide
CID 10743681

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide (CID 177217614) is N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide is C=CCCCC1CCCC1C(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide?
The InChIKey is HAZJMJNNRZJOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-3-4-5-7-15-8-6-9-17(15)18(20)19-23(21,22)16-12-10-14(2)11-13-16/h3,10-13,15,17H,1,4-9H2,2H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide?
N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 177217614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).