4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide

C23H32N2O4S2 — CID 121179080

IUPAC4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1
InChIInChI=1S/C23H32N2O4S2/c1-4-25(5-2)31(28,29)19-10-8-18(9-11-19)22(27)24-16-23(14-6-7-15-23)21-13-12-20(30-21)17(3)26/h8-13,17,26H,4-7,14-16H2,1-3H3,(H,24,27)
InChIKeyFCFQGLRSNUVFGU-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.07
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide

4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide (PubChem CID 121179080) has the molecular formula C23H32N2O4S2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
PubChem CID121179080
Molecular FormulaC23H32N2O4S2
Molecular Weight464.65 g/mol
Exact Mass464.18
IUPAC Name4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1
InChIInChI=1S/C23H32N2O4S2/c1-4-25(5-2)31(28,29)19-10-8-18(9-11-19)22(27)24-16-23(14-6-7-15-23)21-13-12-20(30-21)17(3)26/h8-13,17,26H,4-7,14-16H2,1-3H3,(H,24,27)
InChIKeyFCFQGLRSNUVFGU-UHFFFAOYSA-N
XLogP4.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720415
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide
CID 121178991
4-(dimethylamino)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121178983
3,4-diethoxy-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179059
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544176
2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720519
2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179034
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91817464
2-(2,5-dioxopyrrolidin-1-yl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 91817474
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121179165

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide (CID 121179080) is 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(c3ccc(C(C)O)s3)CCCC2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
The InChIKey is FCFQGLRSNUVFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S2/c1-4-25(5-2)31(28,29)19-10-8-18(9-11-19)22(27)24-16-23(14-6-7-15-23)21-13-12-20(30-21)17(3)26/h8-13,17,26H,4-7,14-16H2,1-3H3,(H,24,27).
What are the key properties of 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide?
4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide has a molecular weight of 464.65 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide is sourced from PubChem (CID 121179080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).