N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide

C30H40N2O4S — CID 4990608

IUPACN-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide
SMILESCCN(CC)CCCC(C)N(Cc1ccc(OC)c(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H40N2O4S/c1-5-31(6-2)21-13-14-25(3)32(37(33,34)28-17-11-8-12-18-28)23-27-19-20-29(35-4)30(22-27)36-24-26-15-9-7-10-16-26/h7-12,15-20,22,25H,5-6,13-14,21,23-24H2,1-4H3
InChIKeyWWLMVWVDHWZEBC-UHFFFAOYSA-N
MW524.73 g/mol
LogP5.98
Rot. Bonds15

About N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide

N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 4990608) has the molecular formula C30H40N2O4S and a molecular weight of 524.73 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide
PubChem CID4990608
Molecular FormulaC30H40N2O4S
Molecular Weight524.73 g/mol
Exact Mass524.27
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide
SMILESCCN(CC)CCCC(C)N(Cc1ccc(OC)c(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H40N2O4S/c1-5-31(6-2)21-13-14-25(3)32(37(33,34)28-17-11-8-12-18-28)23-27-19-20-29(35-4)30(22-27)36-24-26-15-9-7-10-16-26/h7-12,15-20,22,25H,5-6,13-14,21,23-24H2,1-4H3
InChIKeyWWLMVWVDHWZEBC-UHFFFAOYSA-N
XLogP5.98
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.73
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-[5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 42704638
3-butyl-1-[5-(diethylamino)pentan-2-yl]-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708399
3-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 42704380
[5-[[benzenesulfonyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 3425260
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 42701827
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 42704317
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 68839024
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 29352136
N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide
CID 42701836
1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42700707
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide (CID 4990608) is N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide is CCN(CC)CCCC(C)N(Cc1ccc(OC)c(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is WWLMVWVDHWZEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O4S/c1-5-31(6-2)21-13-14-25(3)32(37(33,34)28-17-11-8-12-18-28)23-27-19-20-29(35-4)30(22-27)36-24-26-15-9-7-10-16-26/h7-12,15-20,22,25H,5-6,13-14,21,23-24H2,1-4H3.
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide?
N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 524.73 g/mol, XLogP of 5.98, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 4990608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).