N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide

C15H23ClN2O4S — CID 113070286

IUPACN-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1N(CCNC(=O)CC(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O4S/c1-11(2)9-15(19)17-7-8-18(23(4,20)21)13-10-12(16)5-6-14(13)22-3/h5-6,10-11H,7-9H2,1-4H3,(H,17,19)
InChIKeyDUCPDKHMOVPSJC-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.28
Rot. Bonds8

About N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide

N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide (PubChem CID 113070286) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
PubChem CID113070286
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC NameN-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1N(CCNC(=O)CC(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O4S/c1-11(2)9-15(19)17-7-8-18(23(4,20)21)13-10-12(16)5-6-14(13)22-3/h5-6,10-11H,7-9H2,1-4H3,(H,17,19)
InChIKeyDUCPDKHMOVPSJC-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113072052
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890597
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113069981
N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113072464
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30222080
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43910263
4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070383
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30222084
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
2-[benzyl-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132732195
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide (CID 113070286) is N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide is COc1ccc(Cl)cc1N(CCNC(=O)CC(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
The InChIKey is DUCPDKHMOVPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-11(2)9-15(19)17-7-8-18(23(4,20)21)13-10-12(16)5-6-14(13)22-3/h5-6,10-11H,7-9H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide?
N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide has a molecular weight of 362.88 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113070286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).