N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C22H18N4O3S — CID 56552544

IUPACN-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2ccccc2NC(=O)c2cccs2)n[nH]1
InChIInChI=1S/C22H18N4O3S/c1-29-18-10-5-3-7-14(18)17-13-20(26-25-17)24-21(27)15-8-2-4-9-16(15)23-22(28)19-11-6-12-30-19/h2-13H,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyPGXJFQPNDFZOKM-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.65
Rot. Bonds6

About N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 56552544) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID56552544
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2ccccc2NC(=O)c2cccs2)n[nH]1
InChIInChI=1S/C22H18N4O3S/c1-29-18-10-5-3-7-14(18)17-13-20(26-25-17)24-21(27)15-8-2-4-9-16(15)23-22(28)19-11-6-12-30-19/h2-13H,1H3,(H,23,28)(H2,24,25,26,27)
InChIKeyPGXJFQPNDFZOKM-UHFFFAOYSA-N
XLogP4.65
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552510
N-[5-[(2-methoxybenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449384
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56552567
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566131
3,4,5-trimethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-nitrobenzamide
CID 56552794
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30661239
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55843532
N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
CID 177168105

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 56552544) is N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide is COc1ccccc1-c1cc(NC(=O)c2ccccc2NC(=O)c2cccs2)n[nH]1.
What is the InChIKey of N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PGXJFQPNDFZOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-29-18-10-5-3-7-14(18)17-13-20(26-25-17)24-21(27)15-8-2-4-9-16(15)23-22(28)19-11-6-12-30-19/h2-13H,1H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 56552544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).