N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide

C18H21N3O4S — CID 119730948

IUPACN-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide
SMILESCc1ccc(NC(=O)C2COCCN2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-13-7-8-15(20-18(22)16-12-25-10-9-19-16)11-17(13)26(23,24)21-14-5-3-2-4-6-14/h2-8,11,16,19,21H,9-10,12H2,1H3,(H,20,22)
InChIKeyKVMWVXXHFOSLKQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.72
Rot. Bonds5

About N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide

N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide (PubChem CID 119730948) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide
PubChem CID119730948
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide
SMILESCc1ccc(NC(=O)C2COCCN2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-13-7-8-15(20-18(22)16-12-25-10-9-19-16)11-17(13)26(23,24)21-14-5-3-2-4-6-14/h2-8,11,16,19,21H,9-10,12H2,1H3,(H,20,22)
InChIKeyKVMWVXXHFOSLKQ-UHFFFAOYSA-N
XLogP1.72
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]morpholine-3-carboxamide
CID 119675117
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide
CID 119688772
N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
CID 115377301
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119265955
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263693
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
N-[4-(propylsulfonylamino)phenyl]morpholine-3-carboxamide
CID 119754209
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730951

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide (CID 119730948) is N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide is Cc1ccc(NC(=O)C2COCCN2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide?
The InChIKey is KVMWVXXHFOSLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-7-8-15(20-18(22)16-12-25-10-9-19-16)11-17(13)26(23,24)21-14-5-3-2-4-6-14/h2-8,11,16,19,21H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide?
N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(phenylsulfamoyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119730948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).