2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide

C18H29N3O4S — CID 2974193

IUPAC2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
SMILESCCCNC(=O)CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC
InChIInChI=1S/C18H29N3O4S/c1-4-12-19-17(22)11-10-16(18(23)20-13-5-2)21-26(24,25)15-8-6-14(3)7-9-15/h6-9,16,21H,4-5,10-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyUAGLXGPTHWMFPB-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.47
Rot. Bonds11

About 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide

2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide (PubChem CID 2974193) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
PubChem CID2974193
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
SMILESCCCNC(=O)CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC
InChIInChI=1S/C18H29N3O4S/c1-4-12-19-17(22)11-10-16(18(23)20-13-5-2)21-26(24,25)15-8-6-14(3)7-9-15/h6-9,16,21H,4-5,10-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyUAGLXGPTHWMFPB-UHFFFAOYSA-N
XLogP1.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide (CID 2974193) is 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide is CCCNC(=O)CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide?
The InChIKey is UAGLXGPTHWMFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-12-19-17(22)11-10-16(18(23)20-13-5-2)21-26(24,25)15-8-6-14(3)7-9-15/h6-9,16,21H,4-5,10-13H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide?
2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide has a molecular weight of 383.51 g/mol, XLogP of 1.47, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide is sourced from PubChem (CID 2974193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).