N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C19H20N4O2S — CID 31848477

IUPACN-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)n1
InChIInChI=1S/C19H20N4O2S/c1-22-8-7-17(21-22)20-18(24)16-13-15(14-5-3-2-4-6-14)19(26-16)23-9-11-25-12-10-23/h2-8,13H,9-12H2,1H3,(H,20,21,24)
InChIKeyCEUPTNSBUIVNPT-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.24
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 31848477) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID31848477
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)n1
InChIInChI=1S/C19H20N4O2S/c1-22-8-7-17(21-22)20-18(24)16-13-15(14-5-3-2-4-6-14)19(26-16)23-9-11-25-12-10-23/h2-8,13H,9-12H2,1H3,(H,20,21,24)
InChIKeyCEUPTNSBUIVNPT-UHFFFAOYSA-N
XLogP3.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 24659557
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 71881584
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
CID 9291462
N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9453874
N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 34335922
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521
N-(2-methyl-3-nitrophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26737790

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 31848477) is N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is Cn1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is CEUPTNSBUIVNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-22-8-7-17(21-22)20-18(24)16-13-15(14-5-3-2-4-6-14)19(26-16)23-9-11-25-12-10-23/h2-8,13H,9-12H2,1H3,(H,20,21,24).
What are the key properties of N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 31848477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).