N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide

C24H31NO4S — CID 139532554

IUPACN-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H31NO4S/c1-29-22-15-17-23(18-16-22)30(27,28)25(21-12-7-4-8-13-21)19-9-14-24(26)20-10-5-2-3-6-11-20/h4,7-8,12-13,15-18,20H,2-3,5-6,9-11,14,19H2,1H3
InChIKeyMSEGDVOYFLNBPZ-UHFFFAOYSA-N
MW429.58 g/mol
LogP5.21
Rot. Bonds9

About N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide

N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 139532554) has the molecular formula C24H31NO4S and a molecular weight of 429.58 g/mol. Its IUPAC name is N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID139532554
Molecular FormulaC24H31NO4S
Molecular Weight429.58 g/mol
Exact Mass429.20
IUPAC NameN-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H31NO4S/c1-29-22-15-17-23(18-16-22)30(27,28)25(21-12-7-4-8-13-21)19-9-14-24(26)20-10-5-2-3-6-11-20/h4,7-8,12-13,15-18,20H,2-3,5-6,9-11,14,19H2,1H3
InChIKeyMSEGDVOYFLNBPZ-UHFFFAOYSA-N
XLogP5.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.58
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532544
N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide
CID 139532545
methyl 3-(4-methoxy-N-phenylphenylsulfonamido)propanoate
CID 665700
N-(3-acetylphenyl)-1-[(4-methoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 1209910
N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide
CID 71583941
N-{4-[(dimethylamino)sulfonyl]phenyl}-2-(4-methoxyphenyl)acetamide
CID 972310
N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 1010383
N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532541
4-methoxy-N-(4-oxopentyl)-N-phenylbenzenesulfonamide
CID 139532546
N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 139532547
N-[4-(4-fluorophenyl)-4-oxobutyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 139532548
N-(4-cyclopentyl-4-oxobutyl)-N-phenyl-4-(trifluoromethoxy)benzenesulfonamide
CID 139532549

Frequently Asked Questions

What is the IUPAC name of N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide (CID 139532554) is N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is MSEGDVOYFLNBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4S/c1-29-22-15-17-23(18-16-22)30(27,28)25(21-12-7-4-8-13-21)19-9-14-24(26)20-10-5-2-3-6-11-20/h4,7-8,12-13,15-18,20H,2-3,5-6,9-11,14,19H2,1H3.
What are the key properties of N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide?
N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 429.58 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 139532554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).