N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

C22H29N3O4S — CID 38723759

IUPACN-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-18-7-9-20(10-8-18)30(27,28)23-12-11-22(26)24(2)17-19-5-3-4-6-21(19)25-13-15-29-16-14-25/h3-10,23H,11-17H2,1-2H3
InChIKeyWQPFUXOIAJPKTN-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.16
Rot. Bonds8

About N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 38723759) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID38723759
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-18-7-9-20(10-8-18)30(27,28)23-12-11-22(26)24(2)17-19-5-3-4-6-21(19)25-13-15-29-16-14-25/h3-10,23H,11-17H2,1-2H3
InChIKeyWQPFUXOIAJPKTN-UHFFFAOYSA-N
XLogP2.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 47075386
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-2-carboxamide
CID 43017891
2,2-dimethyl-N-[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]propanamide
CID 31645850
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 29481269
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 120611436

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (CID 38723759) is N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is WQPFUXOIAJPKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-18-7-9-20(10-8-18)30(27,28)23-12-11-22(26)24(2)17-19-5-3-4-6-21(19)25-13-15-29-16-14-25/h3-10,23H,11-17H2,1-2H3.
What are the key properties of N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 431.56 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 38723759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).