N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

C25H35N3O4S — CID 19874945

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H35N3O4S/c1-18(2)21-11-8-12-22(19(3)4)24(21)26-25(29)23(17-20-9-6-5-7-10-20)27-33(30,31)28-13-15-32-16-14-28/h5-12,18-19,23,27H,13-17H2,1-4H3,(H,26,29)
InChIKeyWOOBZGSKTNWDEK-UHFFFAOYSA-N
MW473.64 g/mol
LogP3.65
Rot. Bonds9

About N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide (PubChem CID 19874945) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
PubChem CID19874945
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H35N3O4S/c1-18(2)21-11-8-12-22(19(3)4)24(21)26-25(29)23(17-20-9-6-5-7-10-20)27-33(30,31)28-13-15-32-16-14-28/h5-12,18-19,23,27H,13-17H2,1-4H3,(H,26,29)
InChIKeyWOOBZGSKTNWDEK-UHFFFAOYSA-N
XLogP3.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenylpropanoic acid
CID 70057612
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide
CID 102675573
methyl (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]propanoate
CID 11016534
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 122069411
N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 114296967
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
CID 70056953
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)-3-phenylpropanamide
CID 43890790
1-[2,6-di(propan-2-yl)phenyl]-3-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 42703100
(4S)-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxo-5-phenylpentanamide
CID 15126560
(2S)-N-[(6S,7R,8S)-7,8-dihydroxy-10-methyl-1-phenylundecan-6-yl]-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enamide
CID 10484751
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide (CID 19874945) is N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide is CC(C)c1cccc(C(C)C)c1NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide?
The InChIKey is WOOBZGSKTNWDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-18(2)21-11-8-12-22(19(3)4)24(21)26-25(29)23(17-20-9-6-5-7-10-20)27-33(30,31)28-13-15-32-16-14-28/h5-12,18-19,23,27H,13-17H2,1-4H3,(H,26,29).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide has a molecular weight of 473.64 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide is sourced from PubChem (CID 19874945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).