N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C19H23N3O4S — CID 119422735

IUPACN-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESNc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O4S/c20-17-3-1-2-4-18(17)21-19(23)10-7-15-5-8-16(9-6-15)27(24,25)22-11-13-26-14-12-22/h1-6,8-9H,7,10-14,20H2,(H,21,23)
InChIKeyLRTTYMPTRWTUIJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.86
Rot. Bonds6

About N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 119422735) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID119422735
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESNc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O4S/c20-17-3-1-2-4-18(17)21-19(23)10-7-15-5-8-16(9-6-15)27(24,25)22-11-13-26-14-12-22/h1-6,8-9H,7,10-14,20H2,(H,21,23)
InChIKeyLRTTYMPTRWTUIJ-UHFFFAOYSA-N
XLogP1.86
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
N-(3-chloro-2-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26309208
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
methyl 2-hydroxy-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzoate
CID 56543449
N-(2-aminophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119422117
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-(4-bromo-2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26239683
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119516414
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 119422735) is N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is Nc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is LRTTYMPTRWTUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c20-17-3-1-2-4-18(17)21-19(23)10-7-15-5-8-16(9-6-15)27(24,25)22-11-13-26-14-12-22/h1-6,8-9H,7,10-14,20H2,(H,21,23).
What are the key properties of N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 389.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 119422735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).