N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide

C22H29N3O4S — CID 55848949

IUPACN-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29N3O4S/c1-4-5-22(27)25-19-9-7-18(8-10-19)15-23-21(26)12-13-24-30(28,29)20-11-6-16(2)17(3)14-20/h6-11,14,24H,4-5,12-13,15H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyONWHYEPWWWLNBY-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.03
Rot. Bonds10

About N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide

N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide (PubChem CID 55848949) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
PubChem CID55848949
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29N3O4S/c1-4-5-22(27)25-19-9-7-18(8-10-19)15-23-21(26)12-13-24-30(28,29)20-11-6-16(2)17(3)14-20/h6-11,14,24H,4-5,12-13,15H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyONWHYEPWWWLNBY-UHFFFAOYSA-N
XLogP3.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46424583
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 46475956
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
N-[3-chloro-4-(dimethylamino)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 55822561

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide?
The IUPAC name of N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide (CID 55848949) is N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide?
The InChIKey is ONWHYEPWWWLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-4-5-22(27)25-19-9-7-18(8-10-19)15-23-21(26)12-13-24-30(28,29)20-11-6-16(2)17(3)14-20/h6-11,14,24H,4-5,12-13,15H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide?
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide has a molecular weight of 431.56 g/mol, XLogP of 3.03, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide is sourced from PubChem (CID 55848949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).