N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C22H19N5O4S2 — CID 55792314

IUPACN-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C22H19N5O4S2/c1-15-14-19(25-27(15)16-8-3-2-4-9-16)22(29)24-23-21(28)17-10-5-6-11-18(17)26-33(30,31)20-12-7-13-32-20/h2-14,26H,1H3,(H,23,28)(H,24,29)
InChIKeyWNDMMIJBSKJUJR-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.12
Rot. Bonds6

About N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 55792314) has the molecular formula C22H19N5O4S2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID55792314
Molecular FormulaC22H19N5O4S2
Molecular Weight481.56 g/mol
Exact Mass481.09
IUPAC NameN-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C22H19N5O4S2/c1-15-14-19(25-27(15)16-8-3-2-4-9-16)22(29)24-23-21(28)17-10-5-6-11-18(17)26-33(30,31)20-12-7-13-32-20/h2-14,26H,1H3,(H,23,28)(H,24,29)
InChIKeyWNDMMIJBSKJUJR-UHFFFAOYSA-N
XLogP3.12
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 3892594
CID 3892594
CID 6903023
CID 6903023
CID 164610255
CID 164610255
CID 164612535
CID 164612535
CID 164614150
CID 164614150
CID 164617905
CID 164617905
CID 164619193
CID 164619193
CID 164626378
CID 164626378
CID 164627064
CID 164627064
CID 164627688
CID 164627688
CID 2115330
CID 2115330
CID 6893264
CID 6893264

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 55792314) is N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is Cc1cc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is WNDMMIJBSKJUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4S2/c1-15-14-19(25-27(15)16-8-3-2-4-9-16)22(29)24-23-21(28)17-10-5-6-11-18(17)26-33(30,31)20-12-7-13-32-20/h2-14,26H,1H3,(H,23,28)(H,24,29).
What are the key properties of N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 481.56 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55792314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).