N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide

C14H23N3O3S — CID 113147692

IUPACN-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC(C)N(CC(=O)N(C)CCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-12(2)17(21(4,19)20)11-14(18)16(3)10-7-13-5-8-15-9-6-13/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeySBLSEGCVLJNAEQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.75
Rot. Bonds7

About N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide

N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 113147692) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID113147692
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC(C)N(CC(=O)N(C)CCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-12(2)17(21(4,19)20)11-14(18)16(3)10-7-13-5-8-15-9-6-13/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeySBLSEGCVLJNAEQ-UHFFFAOYSA-N
XLogP0.75
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154369
2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154839
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113136290
2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113155558
3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
CID 62966262
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154877

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide (CID 113147692) is N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide is CC(C)N(CC(=O)N(C)CCc1ccncc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is SBLSEGCVLJNAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12(2)17(21(4,19)20)11-14(18)16(3)10-7-13-5-8-15-9-6-13/h5-6,8-9,12H,7,10-11H2,1-4H3.
What are the key properties of N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide?
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 313.42 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 113147692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).