N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide

C15H17N3O4S2 — CID 17463497

IUPACN,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1
InChIInChI=1S/C15H17N3O4S2/c1-10-7-8-13(23-10)15(20)17-16-14(19)11-5-4-6-12(9-11)24(21,22)18(2)3/h4-9H,1-3H3,(H,16,19)(H,17,20)
InChIKeyNBQUNQXZIQIYRY-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.38
Rot. Bonds4

About N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide

N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 17463497) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID17463497
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC NameN,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1
InChIInChI=1S/C15H17N3O4S2/c1-10-7-8-13(23-10)15(20)17-16-14(19)11-5-4-6-12(9-11)24(21,22)18(2)3/h4-9H,1-3H3,(H,16,19)(H,17,20)
InChIKeyNBQUNQXZIQIYRY-UHFFFAOYSA-N
XLogP1.38
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 9427950
3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473259
N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
N'-benzoyl-5-methylthiophene-2-carbohydrazide
CID 4808936
3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43016473
1-tert-butyl-3-[[3-(dimethylsulfamoyl)benzoyl]amino]thiourea
CID 9425452
N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 55560204
N,N-dimethyl-3-[(3-methylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24639201
N,N-dimethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 9473120
N,N-dimethyl-3-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]carbamoyl]benzenesulfonamide
CID 24536143
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 17463497) is N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide is Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1.
What is the InChIKey of N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is NBQUNQXZIQIYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c1-10-7-8-13(23-10)15(20)17-16-14(19)11-5-4-6-12(9-11)24(21,22)18(2)3/h4-9H,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 367.45 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 17463497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).