N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide

C16H18N6O3S2 — CID 10136030

IUPACN-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide
SMILESCc1cc(C)c(C(=O)n2nc(Nc3ccc(NS(C)(=O)=O)cc3)nc2N)s1
InChIInChI=1S/C16H18N6O3S2/c1-9-8-10(2)26-13(9)14(23)22-15(17)19-16(20-22)18-11-4-6-12(7-5-11)21-27(3,24)25/h4-8,21H,1-3H3,(H3,17,18,19,20)
InChIKeyATZNVVNLZGRYGU-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.34
Rot. Bonds5

About N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide

N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide (PubChem CID 10136030) has the molecular formula C16H18N6O3S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide
PubChem CID10136030
Molecular FormulaC16H18N6O3S2
Molecular Weight406.49 g/mol
Exact Mass406.09
IUPAC NameN-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide
SMILESCc1cc(C)c(C(=O)n2nc(Nc3ccc(NS(C)(=O)=O)cc3)nc2N)s1
InChIInChI=1S/C16H18N6O3S2/c1-9-8-10(2)26-13(9)14(23)22-15(17)19-16(20-22)18-11-4-6-12(7-5-11)21-27(3,24)25/h4-8,21H,1-3H3,(H3,17,18,19,20)
InChIKeyATZNVVNLZGRYGU-UHFFFAOYSA-N
XLogP2.34
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

3-Methylthienyl-carbonyl-JNJ-7706621
CID 5330804
4-[[5-Amino-1-(2-thienylcarbonyl)-1h-1,2,4-triazol-3-yl]amino]-benzenesulfonamide
CID 5330803
4-(5-amino-1-(2,4-dimethylthiophene-5-carbonyl)-1H-1,2,4-triazol-3-ylamino)benzenesulfonamide
CID 5330805
4-[[5-Amino-1-[(3-fluoro-2-thienyl)carbonyl]-1h-1,2,4-triazol-3-yl]amino]-benzenesulfonamide
CID 5330806
4-((5-amino-1-(3-methylthiophene-2-carbonyl)-1H-1,2,4-triazol-3-yl)amino)-N-(2-(prop-2-yn-1-yloxy)ethyl)benzenesulfonamide
CID 155294155
1-(5-Amino-3-anilino-1,2,4-triazol-1-yl)-2-thiophen-2-ylethanone
CID 9796323
[5-Amino-3-[4-(1,2,4-triazol-1-yl)anilino]-1,2,4-triazol-1-yl]-(3-methylthiophen-2-yl)methanone
CID 9925390
4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide
CID 10112013
4-[[5-amino-1-(3-methylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 10112014
4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 10115707
N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide
CID 10136979
4-[[5-Amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 10157342

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide (CID 10136030) is N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide is Cc1cc(C)c(C(=O)n2nc(Nc3ccc(NS(C)(=O)=O)cc3)nc2N)s1.
What is the InChIKey of N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide?
The InChIKey is ATZNVVNLZGRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S2/c1-9-8-10(2)26-13(9)14(23)22-15(17)19-16(20-22)18-11-4-6-12(7-5-11)21-27(3,24)25/h4-8,21H,1-3H3,(H3,17,18,19,20).
What are the key properties of N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide?
N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide has a molecular weight of 406.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 10136030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).