(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide

C18H23NO3S — CID 95625088

IUPAC(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
SMILESCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H23NO3S/c1-5-19(18(20)14(4)23(21,22)13(2)3)17-12-8-10-15-9-6-7-11-16(15)17/h6-14H,5H2,1-4H3/t14-/m1/s1
InChIKeyKIRGRJGTDLNGLO-CQSZACIVSA-N
MW333.45 g/mol
LogP3.40
Rot. Bonds5

About (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide

(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide (PubChem CID 95625088) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
PubChem CID95625088
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
SMILESCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H23NO3S/c1-5-19(18(20)14(4)23(21,22)13(2)3)17-12-8-10-15-9-6-7-11-16(15)17/h6-14H,5H2,1-4H3/t14-/m1/s1
InChIKeyKIRGRJGTDLNGLO-CQSZACIVSA-N
XLogP3.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538
(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide
CID 79011768
2-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylpropanamide
CID 81082117
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
CID 94821471
N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104517317
2-amino-N-ethyl-2-methyl-N-naphthalen-1-ylpropanamide
CID 61265760
methyl 1-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
CID 8741731
3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide
CID 63678616
3-[methylsulfonyl(naphthalen-1-yl)amino]propanoic acid
CID 50895842
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
CID 103154156

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide (CID 95625088) is (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide is CCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)c1cccc2ccccc12.
What is the InChIKey of (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide?
The InChIKey is KIRGRJGTDLNGLO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-5-19(18(20)14(4)23(21,22)13(2)3)17-12-8-10-15-9-6-7-11-16(15)17/h6-14H,5H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide?
(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide has a molecular weight of 333.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 95625088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).