5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide

C14H18N4O4S2 — CID 91762643

IUPAC5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide
SMILESCC(O)c1cc2n(n1)CCCN(S(=O)(=O)c1cc(C(N)=O)cs1)C2
InChIInChI=1S/C14H18N4O4S2/c1-9(19)12-6-11-7-17(3-2-4-18(11)16-12)24(21,22)13-5-10(8-23-13)14(15)20/h5-6,8-9,19H,2-4,7H2,1H3,(H2,15,20)
InChIKeyHWUSAJUGZQRTHB-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.69
Rot. Bonds4

About 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide

5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide (PubChem CID 91762643) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide
PubChem CID91762643
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC Name5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide
SMILESCC(O)c1cc2n(n1)CCCN(S(=O)(=O)c1cc(C(N)=O)cs1)C2
InChIInChI=1S/C14H18N4O4S2/c1-9(19)12-6-11-7-17(3-2-4-18(11)16-12)24(21,22)13-5-10(8-23-13)14(15)20/h5-6,8-9,19H,2-4,7H2,1H3,(H2,15,20)
InChIKeyHWUSAJUGZQRTHB-UHFFFAOYSA-N
XLogP0.69
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide (CID 91762643) is 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide is CC(O)c1cc2n(n1)CCCN(S(=O)(=O)c1cc(C(N)=O)cs1)C2.
What is the InChIKey of 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide?
The InChIKey is HWUSAJUGZQRTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-9(19)12-6-11-7-17(3-2-4-18(11)16-12)24(21,22)13-5-10(8-23-13)14(15)20/h5-6,8-9,19H,2-4,7H2,1H3,(H2,15,20).
What are the key properties of 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide?
5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]sulfonyl]thiophene-3-carboxamide is sourced from PubChem (CID 91762643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).