N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide

C15H23NO3S — CID 110440585

IUPACN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H23NO3S/c1-3-4-11-20(17,18)16-12-15(9-10-15)13-5-7-14(19-2)8-6-13/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyNJHPAMZWAKIROQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.45
Rot. Bonds8

About N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide

N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide (PubChem CID 110440585) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide
PubChem CID110440585
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H23NO3S/c1-3-4-11-20(17,18)16-12-15(9-10-15)13-5-7-14(19-2)8-6-13/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyNJHPAMZWAKIROQ-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
CID 110440589
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide
CID 110440592
4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269363
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,4-dimethylbenzenesulfonamide
CID 42269391
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 42269408
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113090768
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 27450599
3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
CID 113214648
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197095
N-[1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 47371512

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide (CID 110440585) is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1(c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide?
The InChIKey is NJHPAMZWAKIROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-4-11-20(17,18)16-12-15(9-10-15)13-5-7-14(19-2)8-6-13/h5-8,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide?
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 110440585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).