N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide

C16H26N2OS — CID 62574010

IUPACN-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
SMILESCc1ccc(C(C)NCC(=O)NC2CCCCCC2)s1
InChIInChI=1S/C16H26N2OS/c1-12-9-10-15(20-12)13(2)17-11-16(19)18-14-7-5-3-4-6-8-14/h9-10,13-14,17H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyCITBFAISEVQIPE-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.55
Rot. Bonds5

About N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide

N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide (PubChem CID 62574010) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
PubChem CID62574010
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
SMILESCc1ccc(C(C)NCC(=O)NC2CCCCCC2)s1
InChIInChI=1S/C16H26N2OS/c1-12-9-10-15(20-12)13(2)17-11-16(19)18-14-7-5-3-4-6-8-14/h9-10,13-14,17H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyCITBFAISEVQIPE-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
N-cyclopropyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 61333566
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
N-cycloheptyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]acetamide
CID 81363494
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 62575829
(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81384118
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
CID 81359637
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
N-cyclopentyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 61193344
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide (CID 62574010) is N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide is Cc1ccc(C(C)NCC(=O)NC2CCCCCC2)s1.
What is the InChIKey of N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide?
The InChIKey is CITBFAISEVQIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12-9-10-15(20-12)13(2)17-11-16(19)18-14-7-5-3-4-6-8-14/h9-10,13-14,17H,3-8,11H2,1-2H3,(H,18,19).
What are the key properties of N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide?
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide has a molecular weight of 294.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide is sourced from PubChem (CID 62574010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).