N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide

C25H27N5O4S — CID 26343283

IUPACN-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Cn3cc(NC(=O)CSc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C25H27N5O4S/c1-34-21-7-5-6-19(14-21)25(33)29-12-10-28(11-13-29)24(32)17-30-16-20(15-26-30)27-23(31)18-35-22-8-3-2-4-9-22/h2-9,14-16H,10-13,17-18H2,1H3,(H,27,31)
InChIKeySDNOGIOYGLTUBR-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.61
Rot. Bonds8

About N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide

N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide (PubChem CID 26343283) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
PubChem CID26343283
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Cn3cc(NC(=O)CSc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C25H27N5O4S/c1-34-21-7-5-6-19(14-21)25(33)29-12-10-28(11-13-29)24(32)17-30-16-20(15-26-30)27-23(31)18-35-22-8-3-2-4-9-22/h2-9,14-16H,10-13,17-18H2,1H3,(H,27,31)
InChIKeySDNOGIOYGLTUBR-UHFFFAOYSA-N
XLogP2.61
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 70756985
3-amino-1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949990
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35042935
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23906308
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4036603
N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3471736
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35521362
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 126465127

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide (CID 26343283) is N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide is COc1cccc(C(=O)N2CCN(C(=O)Cn3cc(NC(=O)CSc4ccccc4)cn3)CC2)c1.
What is the InChIKey of N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
The InChIKey is SDNOGIOYGLTUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-34-21-7-5-6-19(14-21)25(33)29-12-10-28(11-13-29)24(32)17-30-16-20(15-26-30)27-23(31)18-35-22-8-3-2-4-9-22/h2-9,14-16H,10-13,17-18H2,1H3,(H,27,31).
What are the key properties of N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide?
N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide has a molecular weight of 493.59 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 26343283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).