N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide

C14H20Cl2N2O3S — CID 113072052

IUPACN-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-10(2)9-13(19)17-7-8-18(22(3,20)21)12-6-4-5-11(15)14(12)16/h4-6,10H,7-9H2,1-3H3,(H,17,19)
InChIKeyUUMSMAMQACEKCP-UHFFFAOYSA-N
MW367.30 g/mol
LogP2.92
Rot. Bonds7

About N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide

N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide (PubChem CID 113072052) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
PubChem CID113072052
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC NameN-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCN(c1cccc(Cl)c1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-10(2)9-13(19)17-7-8-18(22(3,20)21)12-6-4-5-11(15)14(12)16/h4-6,10H,7-9H2,1-3H3,(H,17,19)
InChIKeyUUMSMAMQACEKCP-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113069981
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
ethyl 2-[2-(3-methylbutanoylamino)ethyl-methylsulfonylamino]benzoate
CID 113072131
N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113070286
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 46919892
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113069838
N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113072464
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100500855
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143958

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide (CID 113072052) is N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCN(c1cccc(Cl)c1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
The InChIKey is UUMSMAMQACEKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-10(2)9-13(19)17-7-8-18(22(3,20)21)12-6-4-5-11(15)14(12)16/h4-6,10H,7-9H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide has a molecular weight of 367.30 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113072052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).