N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide

C18H15N5O3S — CID 10091222

IUPACN-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)Nc1cccc2cc[nH]c12
InChIInChI=1S/C18H15N5O3S/c24-16(20-13-3-1-2-11-6-8-19-17(11)13)10-23-9-7-12(21-23)14-4-5-15(27-14)18(25)22-26/h1-9,19,26H,10H2,(H,20,24)(H,22,25)
InChIKeyXJCXNPWJWGZOOG-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.85
Rot. Bonds5

About N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide

N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 10091222) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID10091222
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC NameN-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)Nc1cccc2cc[nH]c12
InChIInChI=1S/C18H15N5O3S/c24-16(20-13-3-1-2-11-6-8-19-17(11)13)10-23-9-7-12(21-23)14-4-5-15(27-14)18(25)22-26/h1-9,19,26H,10H2,(H,20,24)(H,22,25)
InChIKeyXJCXNPWJWGZOOG-UHFFFAOYSA-N
XLogP2.85
TPSA112.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-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 N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 10091222) is N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide is O=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)Nc1cccc2cc[nH]c12.
What is the InChIKey of N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is XJCXNPWJWGZOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c24-16(20-13-3-1-2-11-6-8-19-17(11)13)10-23-9-7-12(21-23)14-4-5-15(27-14)18(25)22-26/h1-9,19,26H,10H2,(H,20,24)(H,22,25).
What are the key properties of N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide?
N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 10091222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).