(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide

C20H33N3O4S2 — CID 37259849

IUPAC(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H33N3O4S2/c1-16(2)18(22-29(25,26)17-7-6-14-28-17)19(24)21-15-20(8-4-3-5-9-20)23-10-12-27-13-11-23/h6-7,14,16,18,22H,3-5,8-13,15H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyNCUQVYYOVPYZEA-GOSISDBHSA-N
MW443.64 g/mol
LogP2.20
Rot. Bonds8

About (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide

(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 37259849) has the molecular formula C20H33N3O4S2 and a molecular weight of 443.64 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID37259849
Molecular FormulaC20H33N3O4S2
Molecular Weight443.64 g/mol
Exact Mass443.19
IUPAC Name(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H33N3O4S2/c1-16(2)18(22-29(25,26)17-7-6-14-28-17)19(24)21-15-20(8-4-3-5-9-20)23-10-12-27-13-11-23/h6-7,14,16,18,22H,3-5,8-13,15H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyNCUQVYYOVPYZEA-GOSISDBHSA-N
XLogP2.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide with MolForge

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Related Compounds

N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46817755
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55348790
3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 43005231
4-[[2-(thiophen-2-ylsulfonylamino)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120542107
(2S)-3-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)butanamide
CID 92712119
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 43005178
N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965302
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide (CID 37259849) is (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is NCUQVYYOVPYZEA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N3O4S2/c1-16(2)18(22-29(25,26)17-7-6-14-28-17)19(24)21-15-20(8-4-3-5-9-20)23-10-12-27-13-11-23/h6-7,14,16,18,22H,3-5,8-13,15H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide?
(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 443.64 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 37259849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).