N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide

C22H30N2O2S2 — CID 4030882

IUPACN-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)Cc1cccs1
InChIInChI=1S/C22H30N2O2S2/c1-3-22(2,21(26)23-17-9-5-4-6-10-17)24(16-19-12-8-14-28-19)20(25)15-18-11-7-13-27-18/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3,(H,23,26)
InChIKeyIZEXJVNTAJPJDP-UHFFFAOYSA-N
MW418.63 g/mol
LogP5.00
Rot. Bonds8

About N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide

N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide (PubChem CID 4030882) has the molecular formula C22H30N2O2S2 and a molecular weight of 418.63 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide
PubChem CID4030882
Molecular FormulaC22H30N2O2S2
Molecular Weight418.63 g/mol
Exact Mass418.17
IUPAC NameN-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)Cc1cccs1
InChIInChI=1S/C22H30N2O2S2/c1-3-22(2,21(26)23-17-9-5-4-6-10-17)24(16-19-12-8-14-28-19)20(25)15-18-11-7-13-27-18/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3,(H,23,26)
InChIKeyIZEXJVNTAJPJDP-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide?
The IUPAC name of N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide (CID 4030882) is N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide is CCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)Cc1cccs1.
What is the InChIKey of N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide?
The InChIKey is IZEXJVNTAJPJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S2/c1-3-22(2,21(26)23-17-9-5-4-6-10-17)24(16-19-12-8-14-28-19)20(25)15-18-11-7-13-27-18/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide?
N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide has a molecular weight of 418.63 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]butanamide is sourced from PubChem (CID 4030882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).