N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide

C29H32N6O3S — CID 3190167

IUPACN-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)c(C)c1
InChIInChI=1S/C29H32N6O3S/c1-19-10-15-24(20(2)17-19)35(26(37)18-34-32-28(31-33-34)25-9-6-16-39-25)27(21-11-13-23(36)14-12-21)29(38)30-22-7-4-3-5-8-22/h6,9-17,22,27,36H,3-5,7-8,18H2,1-2H3,(H,30,38)
InChIKeyCQSASHLUFLOGQQ-UHFFFAOYSA-N
MW544.68 g/mol
LogP4.95
Rot. Bonds8

About N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide

N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (PubChem CID 3190167) has the molecular formula C29H32N6O3S and a molecular weight of 544.68 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
PubChem CID3190167
Molecular FormulaC29H32N6O3S
Molecular Weight544.68 g/mol
Exact Mass544.23
IUPAC NameN-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)c(C)c1
InChIInChI=1S/C29H32N6O3S/c1-19-10-15-24(20(2)17-19)35(26(37)18-34-32-28(31-33-34)25-9-6-16-39-25)27(21-11-13-23(36)14-12-21)29(38)30-22-7-4-3-5-8-22/h6,9-17,22,27,36H,3-5,7-8,18H2,1-2H3,(H,30,38)
InChIKeyCQSASHLUFLOGQQ-UHFFFAOYSA-N
XLogP4.95
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.68
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 3190125
(2S)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 1144152
(2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 25447546
(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 25306317
N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 3180672
N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3761738
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
CID 3190133
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide
CID 3180231
(2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide
CID 98090900
(2R)-N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
CID 25449186
N-cyclopentyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
CID 3180389

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide (CID 3190167) is N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide is Cc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)c(C)c1.
What is the InChIKey of N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?
The InChIKey is CQSASHLUFLOGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3S/c1-19-10-15-24(20(2)17-19)35(26(37)18-34-32-28(31-33-34)25-9-6-16-39-25)27(21-11-13-23(36)14-12-21)29(38)30-22-7-4-3-5-8-22/h6,9-17,22,27,36H,3-5,7-8,18H2,1-2H3,(H,30,38).
What are the key properties of N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide?
N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 544.68 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 3190167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).