N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide

C24H33N3O4S — CID 30885727

IUPACN-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1
InChIInChI=1S/C24H33N3O4S/c1-3-26(4-2)22(17-20-9-6-5-7-10-20)19-25-24(28)21-11-8-12-23(18-21)32(29,30)27-13-15-31-16-14-27/h5-12,18,22H,3-4,13-17,19H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyBGFGKHMOKRQZON-JOCHJYFZSA-N
MW459.61 g/mol
LogP2.39
Rot. Bonds10

About N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide

N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 30885727) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID30885727
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1
InChIInChI=1S/C24H33N3O4S/c1-3-26(4-2)22(17-20-9-6-5-7-10-20)19-25-24(28)21-11-8-12-23(18-21)32(29,30)27-13-15-31-16-14-27/h5-12,18,22H,3-4,13-17,19H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyBGFGKHMOKRQZON-JOCHJYFZSA-N
XLogP2.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8794882
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
N-[2-(dimethylamino)-3-methylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 42940229
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064823
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 9479543
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 24542710

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide (CID 30885727) is N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide is CCN(CC)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BGFGKHMOKRQZON-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-3-26(4-2)22(17-20-9-6-5-7-10-20)19-25-24(28)21-11-8-12-23(18-21)32(29,30)27-13-15-31-16-14-27/h5-12,18,22H,3-4,13-17,19H2,1-2H3,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 459.61 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(diethylamino)-3-phenylpropyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 30885727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).