2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C20H25N3O4S — CID 149253003

IUPAC2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(N)=O)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-3-13-23(14-4-2)20(25)17-12-8-11-16(19(21)24)18(17)22-28(26,27)15-9-6-5-7-10-15/h5-12,22H,3-4,13-14H2,1-2H3,(H2,21,24)
InChIKeyUDNDGEJWYVOJEN-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.85
Rot. Bonds9

About 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 149253003) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID149253003
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(N)=O)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-3-13-23(14-4-2)20(25)17-12-8-11-16(19(21)24)18(17)22-28(26,27)15-9-6-5-7-10-15/h5-12,22H,3-4,13-14H2,1-2H3,(H2,21,24)
InChIKeyUDNDGEJWYVOJEN-UHFFFAOYSA-N
XLogP2.85
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide
CID 70168277
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
2-(benzenesulfonamido)-3,5-dibromobenzamide
CID 155816192
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 141091433
8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid
CID 16774584
N-ethyl-2-hydrazinyl-N-propylbenzamide
CID 62243548

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 149253003) is 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(N)=O)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is UDNDGEJWYVOJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-3-13-23(14-4-2)20(25)17-12-8-11-16(19(21)24)18(17)22-28(26,27)15-9-6-5-7-10-15/h5-12,22H,3-4,13-14H2,1-2H3,(H2,21,24).
What are the key properties of 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 149253003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).