N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide

C19H26N2O4S — CID 52568346

IUPACN-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C1CCCC1)C1CC1
InChIInChI=1S/C19H26N2O4S/c22-19(21(17-8-9-17)16-5-1-2-6-16)15-4-3-7-18(14-15)26(23,24)20-10-12-25-13-11-20/h3-4,7,14,16-17H,1-2,5-6,8-13H2
InChIKeyJWKYXRJKEOGYMK-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.25
Rot. Bonds5

About N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide

N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 52568346) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID52568346
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C1CCCC1)C1CC1
InChIInChI=1S/C19H26N2O4S/c22-19(21(17-8-9-17)16-5-1-2-6-16)15-4-3-7-18(14-15)26(23,24)20-10-12-25-13-11-20/h3-4,7,14,16-17H,1-2,5-6,8-13H2
InChIKeyJWKYXRJKEOGYMK-UHFFFAOYSA-N
XLogP2.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60603204
(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 60534827
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 9295928
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 11927980
N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699389

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide (CID 52568346) is N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide is O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C1CCCC1)C1CC1.
What is the InChIKey of N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JWKYXRJKEOGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c22-19(21(17-8-9-17)16-5-1-2-6-16)15-4-3-7-18(14-15)26(23,24)20-10-12-25-13-11-20/h3-4,7,14,16-17H,1-2,5-6,8-13H2.
What are the key properties of N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 378.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 52568346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).