(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

C26H32N4O2S — CID 1441646

IUPAC(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1cn(C)nc1C
InChIInChI=1S/C26H32N4O2S/c1-18-10-7-8-14-23(18)30(24(31)16-21-13-9-15-33-21)25(22-17-29(3)28-19(22)2)26(32)27-20-11-5-4-6-12-20/h7-10,13-15,17,20,25H,4-6,11-12,16H2,1-3H3,(H,27,32)/t25-/m0/s1
InChIKeyJZKZZFHKPCZALX-VWLOTQADSA-N
MW464.64 g/mol
LogP4.86
Rot. Bonds7

About (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 1441646) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID1441646
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1cn(C)nc1C
InChIInChI=1S/C26H32N4O2S/c1-18-10-7-8-14-23(18)30(24(31)16-21-13-9-15-33-21)25(22-17-29(3)28-19(22)2)26(32)27-20-11-5-4-6-12-20/h7-10,13-15,17,20,25H,4-6,11-12,16H2,1-3H3,(H,27,32)/t25-/m0/s1
InChIKeyJZKZZFHKPCZALX-VWLOTQADSA-N
XLogP4.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441647
(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 40783321
(2S)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441619
N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202650
(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 25309887
N-cyclopentyl-2-(2-fluorophenyl)-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202815
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956
2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide
CID 3191199
N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
CID 3191198
2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide
CID 3191196
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 3202859
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645149

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 1441646) is (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1cn(C)nc1C.
What is the InChIKey of (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is JZKZZFHKPCZALX-VWLOTQADSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-18-10-7-8-14-23(18)30(24(31)16-21-13-9-15-33-21)25(22-17-29(3)28-19(22)2)26(32)27-20-11-5-4-6-12-20/h7-10,13-15,17,20,25H,4-6,11-12,16H2,1-3H3,(H,27,32)/t25-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 464.64 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 1441646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).