N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide

C24H29FN2O4S — CID 51113554

IUPACN-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(CCc1ccccc1)C1CCCC1
InChIInChI=1S/C24H29FN2O4S/c25-23-11-10-21(32(29,30)26-14-16-31-17-15-26)18-22(23)24(28)27(20-8-4-5-9-20)13-12-19-6-2-1-3-7-19/h1-3,6-7,10-11,18,20H,4-5,8-9,12-17H2
InChIKeyGXASXMTUSBLIJU-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.47
Rot. Bonds7

About N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide

N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide (PubChem CID 51113554) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
PubChem CID51113554
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(CCc1ccccc1)C1CCCC1
InChIInChI=1S/C24H29FN2O4S/c25-23-11-10-21(32(29,30)26-14-16-31-17-15-26)18-22(23)24(28)27(20-8-4-5-9-20)13-12-19-6-2-1-3-7-19/h1-3,6-7,10-11,18,20H,4-5,8-9,12-17H2
InChIKeyGXASXMTUSBLIJU-UHFFFAOYSA-N
XLogP3.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
N-(1-benzylpiperidin-4-yl)-2-fluoro-5-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 3352580
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylcyclohexyl)benzamide
CID 55588260
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2458310
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 26893076
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78853789
N-cyclopentyl-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55588122
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide?
The IUPAC name of N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide (CID 51113554) is N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide is O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(CCc1ccccc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide?
The InChIKey is GXASXMTUSBLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c25-23-11-10-21(32(29,30)26-14-16-31-17-15-26)18-22(23)24(28)27(20-8-4-5-9-20)13-12-19-6-2-1-3-7-19/h1-3,6-7,10-11,18,20H,4-5,8-9,12-17H2.
What are the key properties of N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide?
N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide has a molecular weight of 460.57 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 51113554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).