2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide

C16H25N3O4S — CID 46820287

IUPAC2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O4S/c1-5-10-17-16(21)13(3)18-15(20)11-19(4)24(22,23)14-8-6-12(2)7-9-14/h6-9,13H,5,10-11H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyKKAFMRUIGUGKCS-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.65
Rot. Bonds8

About 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide

2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide (PubChem CID 46820287) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
PubChem CID46820287
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O4S/c1-5-10-17-16(21)13(3)18-15(20)11-19(4)24(22,23)14-8-6-12(2)7-9-14/h6-9,13H,5,10-11H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyKKAFMRUIGUGKCS-UHFFFAOYSA-N
XLogP0.65
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165585
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 132658877
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2R)-2-[benzyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylbutanamide
CID 100541609
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 125059760
2-[(4-methoxyphenyl)methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 132944062
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
(2R)-2-[(3,4-dichlorophenyl)methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 100508397

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide (CID 46820287) is 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide?
The InChIKey is KKAFMRUIGUGKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-5-10-17-16(21)13(3)18-15(20)11-19(4)24(22,23)14-8-6-12(2)7-9-14/h6-9,13H,5,10-11H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide?
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 46820287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).