N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide

C23H30N2O2S2 — CID 3374468

IUPACN-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H30N2O2S2/c26-21(16-19-10-6-14-28-19)25(17-20-11-7-15-29-20)23(12-4-1-5-13-23)22(27)24-18-8-2-3-9-18/h6-7,10-11,14-15,18H,1-5,8-9,12-13,16-17H2,(H,24,27)
InChIKeyIAPHFUHZLDSDOL-UHFFFAOYSA-N
MW430.64 g/mol
LogP5.14
Rot. Bonds7

About N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide

N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide (PubChem CID 3374468) has the molecular formula C23H30N2O2S2 and a molecular weight of 430.64 g/mol. Its IUPAC name is N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide
PubChem CID3374468
Molecular FormulaC23H30N2O2S2
Molecular Weight430.64 g/mol
Exact Mass430.17
IUPAC NameN-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H30N2O2S2/c26-21(16-19-10-6-14-28-19)25(17-20-11-7-15-29-20)23(12-4-1-5-13-23)22(27)24-18-8-2-3-9-18/h6-7,10-11,14-15,18H,1-5,8-9,12-13,16-17H2,(H,24,27)
InChIKeyIAPHFUHZLDSDOL-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide (CID 3374468) is N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide is O=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
The InChIKey is IAPHFUHZLDSDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S2/c26-21(16-19-10-6-14-28-19)25(17-20-11-7-15-29-20)23(12-4-1-5-13-23)22(27)24-18-8-2-3-9-18/h6-7,10-11,14-15,18H,1-5,8-9,12-13,16-17H2,(H,24,27).
What are the key properties of N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide has a molecular weight of 430.64 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 3374468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).