N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide

C19H29N3O4S — CID 46797702

IUPACN-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCC1CCCCC1NC(=O)CNc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H29N3O4S/c1-15-5-2-3-8-18(15)21-19(23)14-20-16-6-4-7-17(13-16)27(24,25)22-9-11-26-12-10-22/h4,6-7,13,15,18,20H,2-3,5,8-12,14H2,1H3,(H,21,23)
InChIKeyPOFDBNYZYIQFRN-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.81
Rot. Bonds6

About N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide

N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 46797702) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID46797702
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC NameN-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCC1CCCCC1NC(=O)CNc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H29N3O4S/c1-15-5-2-3-8-18(15)21-19(23)14-20-16-6-4-7-17(13-16)27(24,25)22-9-11-26-12-10-22/h4,6-7,13,15,18,20H,2-3,5,8-12,14H2,1H3,(H,21,23)
InChIKeyPOFDBNYZYIQFRN-UHFFFAOYSA-N
XLogP1.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699389
N-(2-methylcyclohexyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346771
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 7119219
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3893462
1-morpholin-4-yl-2-(3-piperidin-1-ylsulfonylanilino)ethanone
CID 55345366
N-(2-methylcyclohexyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903181
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide
CID 31761761
2,2-dimethyl-N-[3-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]phenyl]propanamide
CID 47021509

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide (CID 46797702) is N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide is CC1CCCCC1NC(=O)CNc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is POFDBNYZYIQFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-15-5-2-3-8-18(15)21-19(23)14-20-16-6-4-7-17(13-16)27(24,25)22-9-11-26-12-10-22/h4,6-7,13,15,18,20H,2-3,5,8-12,14H2,1H3,(H,21,23).
What are the key properties of N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide?
N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 395.53 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 46797702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).