4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C19H25N7O3S2 — CID 10115707

IUPAC4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCCc1ccc(C(=O)n2nc(Nc3ccc(S(=O)(=O)NCCN(C)C)cc3)nc2N)s1
InChIInChI=1S/C19H25N7O3S2/c1-4-14-7-10-16(30-14)17(27)26-18(20)23-19(24-26)22-13-5-8-15(9-6-13)31(28,29)21-11-12-25(2)3/h5-10,21H,4,11-12H2,1-3H3,(H3,20,22,23,24)
InChIKeySPRYBBDXFJJOFY-UHFFFAOYSA-N
MW463.59 g/mol
LogP1.76
Rot. Bonds9

About 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 10115707) has the molecular formula C19H25N7O3S2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID10115707
Molecular FormulaC19H25N7O3S2
Molecular Weight463.59 g/mol
Exact Mass463.15
IUPAC Name4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCCc1ccc(C(=O)n2nc(Nc3ccc(S(=O)(=O)NCCN(C)C)cc3)nc2N)s1
InChIInChI=1S/C19H25N7O3S2/c1-4-14-7-10-16(30-14)17(27)26-18(20)23-19(24-26)22-13-5-8-15(9-6-13)31(28,29)21-11-12-25(2)3/h5-10,21H,4,11-12H2,1-3H3,(H3,20,22,23,24)
InChIKeySPRYBBDXFJJOFY-UHFFFAOYSA-N
XLogP1.76
TPSA135.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino}-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 5330807
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
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
N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide
CID 10136030
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
[5-Amino-3-(4-piperidin-1-ylsulfonylanilino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
CID 10159928

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 10115707) is 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CCc1ccc(C(=O)n2nc(Nc3ccc(S(=O)(=O)NCCN(C)C)cc3)nc2N)s1.
What is the InChIKey of 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is SPRYBBDXFJJOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3S2/c1-4-14-7-10-16(30-14)17(27)26-18(20)23-19(24-26)22-13-5-8-15(9-6-13)31(28,29)21-11-12-25(2)3/h5-10,21H,4,11-12H2,1-3H3,(H3,20,22,23,24).
What are the key properties of 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 463.59 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 10115707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).