N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C27H28N4O2S — CID 24659557

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)c2C)cc1
InChIInChI=1S/C27H28N4O2S/c1-18-9-11-22(12-10-18)31-20(3)25(19(2)29-31)28-26(32)24-17-23(21-7-5-4-6-8-21)27(34-24)30-13-15-33-16-14-30/h4-12,17H,13-16H2,1-3H3,(H,28,32)
InChIKeyBWFUMDWBZHZRCY-UHFFFAOYSA-N
MW472.61 g/mol
LogP5.61
Rot. Bonds5

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 24659557) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID24659557
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)c2C)cc1
InChIInChI=1S/C27H28N4O2S/c1-18-9-11-22(12-10-18)31-20(3)25(19(2)29-31)28-26(32)24-17-23(21-7-5-4-6-8-21)27(34-24)30-13-15-33-16-14-30/h4-12,17H,13-16H2,1-3H3,(H,28,32)
InChIKeyBWFUMDWBZHZRCY-UHFFFAOYSA-N
XLogP5.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
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-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9453874
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55811809
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
N-(2-methyl-3-nitrophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26737790
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-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 166194797

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 24659557) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is Cc1ccc(-n2nc(C)c(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is BWFUMDWBZHZRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-18-9-11-22(12-10-18)31-20(3)25(19(2)29-31)28-26(32)24-17-23(21-7-5-4-6-8-21)27(34-24)30-13-15-33-16-14-30/h4-12,17H,13-16H2,1-3H3,(H,28,32).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 24659557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).