N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide

C22H21N5O3S — CID 74537412

IUPACN-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)C1CC(c2ccccc2)NN1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H21N5O3S/c28-20(15-8-4-9-16(12-15)23-22(30)19-10-5-11-31-19)26-27-21(29)18-13-17(24-25-18)14-6-2-1-3-7-14/h1-12,17-18,24-25H,13H2,(H,23,30)(H,26,28)(H,27,29)
InChIKeyQLUMDQQWLYLINA-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.37
Rot. Bonds5

About N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 74537412) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID74537412
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)C1CC(c2ccccc2)NN1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C22H21N5O3S/c28-20(15-8-4-9-16(12-15)23-22(30)19-10-5-11-31-19)26-27-21(29)18-13-17(24-25-18)14-6-2-1-3-7-14/h1-12,17-18,24-25H,13H2,(H,23,30)(H,26,28)(H,27,29)
InChIKeyQLUMDQQWLYLINA-UHFFFAOYSA-N
XLogP2.37
TPSA111.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide
CID 847833
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27758223
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[3-(3-indol-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9323762
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
CID 691734
N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide
CID 84865540
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
1-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]-3-phenylthiourea
CID 78364812

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide (CID 74537412) is N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(NNC(=O)C1CC(c2ccccc2)NN1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is QLUMDQQWLYLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c28-20(15-8-4-9-16(12-15)23-22(30)19-10-5-11-31-19)26-27-21(29)18-13-17(24-25-18)14-6-2-1-3-7-14/h1-12,17-18,24-25H,13H2,(H,23,30)(H,26,28)(H,27,29).
What are the key properties of N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 2.37, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 74537412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).