N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C14H21N3O2S — CID 119476525

IUPACN-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NC1CCC(N)CC1)C(=O)c1cccs1
InChIInChI=1S/C14H21N3O2S/c1-17(14(19)12-3-2-8-20-12)9-13(18)16-11-6-4-10(15)5-7-11/h2-3,8,10-11H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyINVNNEFBNQDCLB-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.21
Rot. Bonds4

About N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 119476525) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID119476525
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NC1CCC(N)CC1)C(=O)c1cccs1
InChIInChI=1S/C14H21N3O2S/c1-17(14(19)12-3-2-8-20-12)9-13(18)16-11-6-4-10(15)5-7-11/h2-3,8,10-11H,4-7,9,15H2,1H3,(H,16,18)
InChIKeyINVNNEFBNQDCLB-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549410
cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320873
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119457150
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61093482
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 9414507
2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62695136
4-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66221609
N-[2-[[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 97237562
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 120818482

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 119476525) is N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)NC1CCC(N)CC1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is INVNNEFBNQDCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-17(14(19)12-3-2-8-20-12)9-13(18)16-11-6-4-10(15)5-7-11/h2-3,8,10-11H,4-7,9,15H2,1H3,(H,16,18).
What are the key properties of N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 119476525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).