N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide

C29H32N6O3S — CID 3190977

IUPACN-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide
SMILESCOc1cc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccc(C)cc2)ccc1-n1cnnn1
InChIInChI=1S/C29H32N6O3S/c1-20-10-12-21(13-11-20)28(29(37)31-22-7-4-3-5-8-22)35(27(36)18-24-9-6-16-39-24)23-14-15-25(26(17-23)38-2)34-19-30-32-33-34/h6,9-17,19,22,28H,3-5,7-8,18H2,1-2H3,(H,31,37)
InChIKeyNYVYBYFREXPLSM-UHFFFAOYSA-N
MW544.68 g/mol
LogP4.81
Rot. Bonds9

About N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide

N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide (PubChem CID 3190977) has the molecular formula C29H32N6O3S and a molecular weight of 544.68 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide
PubChem CID3190977
Molecular FormulaC29H32N6O3S
Molecular Weight544.68 g/mol
Exact Mass544.23
IUPAC NameN-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide
SMILESCOc1cc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccc(C)cc2)ccc1-n1cnnn1
InChIInChI=1S/C29H32N6O3S/c1-20-10-12-21(13-11-20)28(29(37)31-22-7-4-3-5-8-22)35(27(36)18-24-9-6-16-39-24)23-14-15-25(26(17-23)38-2)34-19-30-32-33-34/h6,9-17,19,22,28H,3-5,7-8,18H2,1-2H3,(H,31,37)
InChIKeyNYVYBYFREXPLSM-UHFFFAOYSA-N
XLogP4.81
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.68
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide (CID 3190977) is N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide is COc1cc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccc(C)cc2)ccc1-n1cnnn1.
What is the InChIKey of N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide?
The InChIKey is NYVYBYFREXPLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3S/c1-20-10-12-21(13-11-20)28(29(37)31-22-7-4-3-5-8-22)35(27(36)18-24-9-6-16-39-24)23-14-15-25(26(17-23)38-2)34-19-30-32-33-34/h6,9-17,19,22,28H,3-5,7-8,18H2,1-2H3,(H,31,37).
What are the key properties of N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide?
N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide has a molecular weight of 544.68 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylacetyl)anilino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 3190977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).