N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide

C20H22N4O6S — CID 75980251

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N4O6S/c1-13(21-15-5-6-18-17(12-15)23-20(26)30-18)19(25)22-14-3-2-4-16(11-14)31(27,28)24-7-9-29-10-8-24/h2-6,11-13,21H,7-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyDGECVFARTDHACP-UHFFFAOYSA-N
MW446.49 g/mol
LogP1.58
Rot. Bonds6

About N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 75980251) has the molecular formula C20H22N4O6S and a molecular weight of 446.49 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID75980251
Molecular FormulaC20H22N4O6S
Molecular Weight446.49 g/mol
Exact Mass446.13
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCC(Nc1ccc2oc(=O)[nH]c2c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N4O6S/c1-13(21-15-5-6-18-17(12-15)23-20(26)30-18)19(25)22-14-3-2-4-16(11-14)31(27,28)24-7-9-29-10-8-24/h2-6,11-13,21H,7-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyDGECVFARTDHACP-UHFFFAOYSA-N
XLogP1.58
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41070554
N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 4883284
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
2-(3-acetylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43018790
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38466362
(2R)-2-(3-ethynylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 37310140
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
2-(2,5-diethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43055778
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3411491
(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 7395631
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41071347
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 3603157

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide (CID 75980251) is N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide is CC(Nc1ccc2oc(=O)[nH]c2c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is DGECVFARTDHACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6S/c1-13(21-15-5-6-18-17(12-15)23-20(26)30-18)19(25)22-14-3-2-4-16(11-14)31(27,28)24-7-9-29-10-8-24/h2-6,11-13,21H,7-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 446.49 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 75980251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).