5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide

C19H25N3O3S — CID 42748003

IUPAC5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1N(C)C
InChIInChI=1S/C19H25N3O3S/c1-14(2)13-20-19(23)17-12-15(10-11-18(17)22(3)4)21-26(24,25)16-8-6-5-7-9-16/h5-12,14,21H,13H2,1-4H3,(H,20,23)
InChIKeyAFFXPZSYHIBYEF-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.94
Rot. Bonds7

About 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide

5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide (PubChem CID 42748003) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
PubChem CID42748003
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1N(C)C
InChIInChI=1S/C19H25N3O3S/c1-14(2)13-20-19(23)17-12-15(10-11-18(17)22(3)4)21-26(24,25)16-8-6-5-7-9-16/h5-12,14,21H,13H2,1-4H3,(H,20,23)
InChIKeyAFFXPZSYHIBYEF-UHFFFAOYSA-N
XLogP2.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 3538460
5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42747203
2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 46292269
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058890
2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 42747759
5-(benzenesulfonamido)-2-(dibenzylamino)benzoic acid
CID 50766523
N-[3-(benzenesulfonyl)-4-(dimethylamino)phenyl]benzenesulfonamide
CID 122375489
4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650129
3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650130
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide (CID 42748003) is 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1N(C)C.
What is the InChIKey of 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is AFFXPZSYHIBYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)13-20-19(23)17-12-15(10-11-18(17)22(3)4)21-26(24,25)16-8-6-5-7-9-16/h5-12,14,21H,13H2,1-4H3,(H,20,23).
What are the key properties of 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42748003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).