N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C23H37N3O5S2 — CID 40804184

IUPACN-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C23H37N3O5S2/c1-4-25(5-2)33(30,31)22-12-10-19(11-13-22)18(3)24-16-23(27)26(20-8-6-7-9-20)21-14-15-32(28,29)17-21/h10-13,18,20-21,24H,4-9,14-17H2,1-3H3/t18-,21+/m0/s1
InChIKeyBIBHGUKCQDCFEJ-GHTZIAJQSA-N
MW499.70 g/mol
LogP2.33
Rot. Bonds10

About N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 40804184) has the molecular formula C23H37N3O5S2 and a molecular weight of 499.70 g/mol. Its IUPAC name is N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID40804184
Molecular FormulaC23H37N3O5S2
Molecular Weight499.70 g/mol
Exact Mass499.22
IUPAC NameN-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C23H37N3O5S2/c1-4-25(5-2)33(30,31)22-12-10-19(11-13-22)18(3)24-16-23(27)26(20-8-6-7-9-20)21-14-15-32(28,29)17-21/h10-13,18,20-21,24H,4-9,14-17H2,1-3H3/t18-,21+/m0/s1
InChIKeyBIBHGUKCQDCFEJ-GHTZIAJQSA-N
XLogP2.33
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.70
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 25362458
N,N-diethyl-4-[(1R)-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]benzenesulfonamide
CID 8649700
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide
CID 8650299
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
CID 8643844
(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650158
(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109
4-[[[4-(diethylsulfamoyl)benzoyl]-(1,1-dioxothiolan-3-yl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 44724180
2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 24614670
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650061
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8650517
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 40804196

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 40804184) is N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is BIBHGUKCQDCFEJ-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H37N3O5S2/c1-4-25(5-2)33(30,31)22-12-10-19(11-13-22)18(3)24-16-23(27)26(20-8-6-7-9-20)21-14-15-32(28,29)17-21/h10-13,18,20-21,24H,4-9,14-17H2,1-3H3/t18-,21+/m0/s1.
What are the key properties of N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 499.70 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 40804184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).