N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide

C15H15N7O4S2 — CID 10136979

IUPACN-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N
InChIInChI=1S/C15H15N7O4S2/c1-8(23)18-11-6-7-27-12(11)13(24)22-14(16)20-15(21-22)19-9-2-4-10(5-3-9)28(17,25)26/h2-7H,1H3,(H,18,23)(H2,17,25,26)(H3,16,19,20,21)
InChIKeyVDKVTHUOSCSJII-UHFFFAOYSA-N
MW421.46 g/mol
LogP0.96
Rot. Bonds5

About N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide

N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide (PubChem CID 10136979) has the molecular formula C15H15N7O4S2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide
PubChem CID10136979
Molecular FormulaC15H15N7O4S2
Molecular Weight421.46 g/mol
Exact Mass421.06
IUPAC NameN-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N
InChIInChI=1S/C15H15N7O4S2/c1-8(23)18-11-6-7-27-12(11)13(24)22-14(16)20-15(21-22)19-9-2-4-10(5-3-9)28(17,25)26/h2-7H,1H3,(H,18,23)(H2,17,25,26)(H3,16,19,20,21)
InChIKeyVDKVTHUOSCSJII-UHFFFAOYSA-N
XLogP0.96
TPSA175.09 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide (CID 10136979) is N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N.
What is the InChIKey of N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide?
The InChIKey is VDKVTHUOSCSJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O4S2/c1-8(23)18-11-6-7-27-12(11)13(24)22-14(16)20-15(21-22)19-9-2-4-10(5-3-9)28(17,25)26/h2-7H,1H3,(H,18,23)(H2,17,25,26)(H3,16,19,20,21).
What are the key properties of N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide?
N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide has a molecular weight of 421.46 g/mol, XLogP of 0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 10136979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).