N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide

C15H23N3O4S — CID 113071066

IUPACN-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(c1cccc(NC(C)=O)c1)S(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-4-6-15(20)16-9-10-18(23(3,21)22)14-8-5-7-13(11-14)17-12(2)19/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyXJKOSSARYSNZLV-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.33
Rot. Bonds8

About N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide

N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide (PubChem CID 113071066) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide
PubChem CID113071066
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(c1cccc(NC(C)=O)c1)S(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-4-6-15(20)16-9-10-18(23(3,21)22)14-8-5-7-13(11-14)17-12(2)19/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyXJKOSSARYSNZLV-UHFFFAOYSA-N
XLogP1.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071074
3-(3-acetamido-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113145483
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113071084
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070961
N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]butanamide
CID 113072460
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]butanamide
CID 113071629
3-(3-bromo-N-methylsulfonylanilino)-N-propylpropanamide
CID 113146042
3-(4-acetamido-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145529
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113155724
N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
CID 47292724

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide?
The IUPAC name of N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide (CID 113071066) is N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide.
What is the SMILES notation for N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide?
The canonical SMILES for N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide is CCCC(=O)NCCN(c1cccc(NC(C)=O)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide?
The InChIKey is XJKOSSARYSNZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-6-15(20)16-9-10-18(23(3,21)22)14-8-5-7-13(11-14)17-12(2)19/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide?
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide has a molecular weight of 341.43 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide is sourced from PubChem (CID 113071066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).