N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide

C20H33N3O4S — CID 56553112

IUPACN-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC(C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H33N3O4S/c1-5-14-23(15-6-2)20(25)13-9-12-19(24)21-16(3)17-10-7-8-11-18(17)22-28(4,26)27/h7-8,10-11,16,22H,5-6,9,12-15H2,1-4H3,(H,21,24)
InChIKeyWTZQEVPIQUBCDG-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.05
Rot. Bonds12

About N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide

N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide (PubChem CID 56553112) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide
PubChem CID56553112
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC(C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H33N3O4S/c1-5-14-23(15-6-2)20(25)13-9-12-19(24)21-16(3)17-10-7-8-11-18(17)22-28(4,26)27/h7-8,10-11,16,22H,5-6,9,12-15H2,1-4H3,(H,21,24)
InChIKeyWTZQEVPIQUBCDG-UHFFFAOYSA-N
XLogP3.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
CID 94062624
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 55934358
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55933849
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55934103
2-cyclopentyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide
CID 131960912
N-[2-[1-[2-(methanesulfonamido)phenyl]ethylamino]-2-oxoethyl]-4-methoxybenzamide
CID 55932572
3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 60544467
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-propoxybenzamide
CID 55933853
N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide
CID 56545254
2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 55768874
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide;hydrochloride
CID 119732344

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide (CID 56553112) is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NC(C)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide?
The InChIKey is WTZQEVPIQUBCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-5-14-23(15-6-2)20(25)13-9-12-19(24)21-16(3)17-10-7-8-11-18(17)22-28(4,26)27/h7-8,10-11,16,22H,5-6,9,12-15H2,1-4H3,(H,21,24).
What are the key properties of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide?
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide has a molecular weight of 411.57 g/mol, XLogP of 3.05, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56553112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).