N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide

C21H28N2O3S — CID 2670766

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C21H28N2O3S/c1-5-16(4)19-13-8-9-14-20(19)22-21(24)17-11-10-12-18(15-17)27(25,26)23(6-2)7-3/h8-16H,5-7H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyGACDMHPFEBTQGR-MRXNPFEDSA-N
MW388.53 g/mol
LogP4.48
Rot. Bonds8

About N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide

N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 2670766) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide
PubChem CID2670766
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C21H28N2O3S/c1-5-16(4)19-13-8-9-14-20(19)22-21(24)17-11-10-12-18(15-17)27(25,26)23(6-2)7-3/h8-16H,5-7H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyGACDMHPFEBTQGR-MRXNPFEDSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2670785
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800
3-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 55486046
3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 8911034
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469920
3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
CID 60579922
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide (CID 2670766) is N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide is CC[C@@H](C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is GACDMHPFEBTQGR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-16(4)19-13-8-9-14-20(19)22-21(24)17-11-10-12-18(15-17)27(25,26)23(6-2)7-3/h8-16H,5-7H2,1-4H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide?
N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 2670766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).