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

C24H32N2O2S2 — CID 5253314

IUPACN-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C24H32N2O2S2/c27-22(17-20-11-7-15-29-20)26(18-21-12-8-16-30-21)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h7-8,11-12,15-16,19H,1-6,9-10,13-14,17-18H2,(H,25,28)
InChIKeyBOQYONHSZZJKQN-UHFFFAOYSA-N
MW444.67 g/mol
LogP5.53
Rot. Bonds7

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

N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide (PubChem CID 5253314) has the molecular formula C24H32N2O2S2 and a molecular weight of 444.67 g/mol. Its IUPAC name is N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide
PubChem CID5253314
Molecular FormulaC24H32N2O2S2
Molecular Weight444.67 g/mol
Exact Mass444.19
IUPAC NameN-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C24H32N2O2S2/c27-22(17-20-11-7-15-29-20)26(18-21-12-8-16-30-21)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h7-8,11-12,15-16,19H,1-6,9-10,13-14,17-18H2,(H,25,28)
InChIKeyBOQYONHSZZJKQN-UHFFFAOYSA-N
XLogP5.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.67
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide (CID 5253314) is N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide is O=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
The InChIKey is BOQYONHSZZJKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S2/c27-22(17-20-11-7-15-29-20)26(18-21-12-8-16-30-21)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h7-8,11-12,15-16,19H,1-6,9-10,13-14,17-18H2,(H,25,28).
What are the key properties of N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide?
N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide has a molecular weight of 444.67 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 5253314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).