(2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide

C23H28N2O4S — CID 51947072

IUPAC(2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide
SMILESCCN(C(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H28N2O4S/c1-3-25(21-9-5-4-6-10-21)22(26)18(2)30(28,29)17-19-11-13-20(14-12-19)23(27)24-15-7-8-16-24/h4-6,9-14,18H,3,7-8,15-17H2,1-2H3/t18-/m1/s1
InChIKeyUMSUFABRYHGNGJ-GOSISDBHSA-N
MW428.55 g/mol
LogP3.28
Rot. Bonds7

About (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide

(2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide (PubChem CID 51947072) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide
PubChem CID51947072
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name(2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide
SMILESCCN(C(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H28N2O4S/c1-3-25(21-9-5-4-6-10-21)22(26)18(2)30(28,29)17-19-11-13-20(14-12-19)23(27)24-15-7-8-16-24/h4-6,9-14,18H,3,7-8,15-17H2,1-2H3/t18-/m1/s1
InChIKeyUMSUFABRYHGNGJ-GOSISDBHSA-N
XLogP3.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide
CID 54835196
N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955
N-ethyl-4-(4-methylpiperidine-1-carbonyl)-N-phenylbenzamide
CID 109044926
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
CID 9153899
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2673800
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2673801
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
1-[1-(N-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906953
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 86832859

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide?
The IUPAC name of (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide (CID 51947072) is (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide.
What is the SMILES notation for (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide?
The canonical SMILES for (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide is CCN(C(=O)[C@@H](C)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide?
The InChIKey is UMSUFABRYHGNGJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-3-25(21-9-5-4-6-10-21)22(26)18(2)30(28,29)17-19-11-13-20(14-12-19)23(27)24-15-7-8-16-24/h4-6,9-14,18H,3,7-8,15-17H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide?
(2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide has a molecular weight of 428.55 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfonyl]propanamide is sourced from PubChem (CID 51947072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).