N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide

C26H31N3O3S — CID 3191195

IUPACN-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
SMILESCOc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2cccn2C)cc1
InChIInChI=1S/C26H31N3O3S/c1-28-16-6-11-23(28)25(26(31)27-19-8-4-3-5-9-19)29(20-12-14-21(32-2)15-13-20)24(30)18-22-10-7-17-33-22/h6-7,10-17,19,25H,3-5,8-9,18H2,1-2H3,(H,27,31)
InChIKeyWRUBDHZSMSYCJO-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.86
Rot. Bonds8

About N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide

N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 3191195) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID3191195
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
SMILESCOc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2cccn2C)cc1
InChIInChI=1S/C26H31N3O3S/c1-28-16-6-11-23(28)25(26(31)27-19-8-4-3-5-9-19)29(20-12-14-21(32-2)15-13-20)24(30)18-22-10-7-17-33-22/h6-7,10-17,19,25H,3-5,8-9,18H2,1-2H3,(H,27,31)
InChIKeyWRUBDHZSMSYCJO-UHFFFAOYSA-N
XLogP4.86
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide (CID 3191195) is N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide is COc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2cccn2C)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is WRUBDHZSMSYCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-28-16-6-11-23(28)25(26(31)27-19-8-4-3-5-9-19)29(20-12-14-21(32-2)15-13-20)24(30)18-22-10-7-17-33-22/h6-7,10-17,19,25H,3-5,8-9,18H2,1-2H3,(H,27,31).
What are the key properties of N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?
N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 465.62 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 3191195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).