N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide

C13H20N2O3S — CID 62999680

IUPACN,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-9(2)19(17,18)14-12-8-11(7-6-10(12)3)13(16)15(4)5/h6-9,14H,1-5H3
InChIKeyPDAQYWLRWRYVGT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.85
Rot. Bonds4

About N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide

N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide (PubChem CID 62999680) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
PubChem CID62999680
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-9(2)19(17,18)14-12-8-11(7-6-10(12)3)13(16)15(4)5/h6-9,14H,1-5H3
InChIKeyPDAQYWLRWRYVGT-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)propane-2-sulfonamide
CID 62997790
N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 60534940
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 43783525
N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 154839852
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
CID 60534815
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
CID 47041438
3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide
CID 80543366
(E)-3-[4-methyl-3-(propan-2-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 109375048
N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526
3-(dimethylsulfamoylamino)-4-methylbenzoic acid
CID 28788003

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide (CID 62999680) is N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide is Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)C(C)C.
What is the InChIKey of N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is PDAQYWLRWRYVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)19(17,18)14-12-8-11(7-6-10(12)3)13(16)15(4)5/h6-9,14H,1-5H3.
What are the key properties of N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide?
N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 284.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 62999680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).