N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide

C21H35N3O4S — CID 8623346

IUPACN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CN2CCCC[C@@H]2C)c1
InChIInChI=1S/C21H35N3O4S/c1-6-24(7-2)29(26,27)18-11-12-20(28-16(3)4)19(14-18)22-21(25)15-23-13-9-8-10-17(23)5/h11-12,14,16-17H,6-10,13,15H2,1-5H3,(H,22,25)/t17-/m0/s1
InChIKeyCLWNTEYDZJGHCH-KRWDZBQOSA-N
MW425.60 g/mol
LogP3.32
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide (PubChem CID 8623346) has the molecular formula C21H35N3O4S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
PubChem CID8623346
Molecular FormulaC21H35N3O4S
Molecular Weight425.60 g/mol
Exact Mass425.23
IUPAC NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CN2CCCC[C@@H]2C)c1
InChIInChI=1S/C21H35N3O4S/c1-6-24(7-2)29(26,27)18-11-12-20(28-16(3)4)19(14-18)22-21(25)15-23-13-9-8-10-17(23)5/h11-12,14,16-17H,6-10,13,15H2,1-5H3,(H,22,25)/t17-/m0/s1
InChIKeyCLWNTEYDZJGHCH-KRWDZBQOSA-N
XLogP3.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 4820431
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
3,6-dichloro-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]pyridine-2-carboxamide
CID 26354825
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
CID 29170953
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]thiophene-3-carboxamide
CID 17470180
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 24509414
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 11931064

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide (CID 8623346) is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CN2CCCC[C@@H]2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is CLWNTEYDZJGHCH-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H35N3O4S/c1-6-24(7-2)29(26,27)18-11-12-20(28-16(3)4)19(14-18)22-21(25)15-23-13-9-8-10-17(23)5/h11-12,14,16-17H,6-10,13,15H2,1-5H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 425.60 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8623346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).