N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide

C21H26N2O4S — CID 43072275

IUPACN-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-16(2)17-8-10-18(11-9-17)22-21(24)19-6-4-5-7-20(19)28(25,26)23-12-14-27-15-13-23/h4-11,16H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyPWFOLBIQCRBKHS-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.47
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide

N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 43072275) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide
PubChem CID43072275
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-16(2)17-8-10-18(11-9-17)22-21(24)19-6-4-5-7-20(19)28(25,26)23-12-14-27-15-13-23/h4-11,16H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyPWFOLBIQCRBKHS-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 39888374
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
2-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 39944232
1-[4-[(2R)-butan-2-yl]phenyl]-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 27087813
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
N-dibenzofuran-3-yl-2-morpholin-4-ylsulfonylbenzamide
CID 60553696
(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119364001
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide (CID 43072275) is N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide is CCC(C)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PWFOLBIQCRBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-16(2)17-8-10-18(11-9-17)22-21(24)19-6-4-5-7-20(19)28(25,26)23-12-14-27-15-13-23/h4-11,16H,3,12-15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43072275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).