N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide

C22H30N2O5S — CID 5124030

IUPACN-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O5S/c1-5-6-15-24(2)22(25)16-21(17-7-9-18(28-3)10-8-17)23-30(26,27)20-13-11-19(29-4)12-14-20/h7-14,21,23H,5-6,15-16H2,1-4H3
InChIKeyGPHIVQLNLVJOTB-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.37
Rot. Bonds11

About N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide

N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 5124030) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID5124030
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC NameN-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCCCN(C)C(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O5S/c1-5-6-15-24(2)22(25)16-21(17-7-9-18(28-3)10-8-17)23-30(26,27)20-13-11-19(29-4)12-14-20/h7-14,21,23H,5-6,15-16H2,1-4H3
InChIKeyGPHIVQLNLVJOTB-UHFFFAOYSA-N
XLogP3.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 4157955
(3S)-N-heptyl-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98363690
3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-octylpropanamide
CID 46371459
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
N-butyl-3-cyclopropyl-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110297393
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 92698423
3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 3618581
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255458
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
CID 100784113
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
N-butyl-N-methyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112995445

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide (CID 5124030) is N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide is CCCCN(C)C(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is GPHIVQLNLVJOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-5-6-15-24(2)22(25)16-21(17-7-9-18(28-3)10-8-17)23-30(26,27)20-13-11-19(29-4)12-14-20/h7-14,21,23H,5-6,15-16H2,1-4H3.
What are the key properties of N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide?
N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 434.56 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 5124030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).