4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide

C18H23N3O4S — CID 53288641

IUPAC4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
SMILESCOc1ccccc1N(CCCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O4S/c1-25-17-7-4-3-6-16(17)21(26(2,23)24)13-5-8-18(22)20-14-15-9-11-19-12-10-15/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,20,22)
InChIKeyULVFNQDZMFQOOM-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.95
Rot. Bonds9

About 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide

4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 53288641) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
PubChem CID53288641
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
SMILESCOc1ccccc1N(CCCC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O4S/c1-25-17-7-4-3-6-16(17)21(26(2,23)24)13-5-8-18(22)20-14-15-9-11-19-12-10-15/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,20,22)
InChIKeyULVFNQDZMFQOOM-UHFFFAOYSA-N
XLogP1.95
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53286560
3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113145026
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113144486
N-[(3-ethoxyphenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288365
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
3-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 100767592
4-(2-methoxy-N-methylsulfonylanilino)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 100689993
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide (CID 53288641) is 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide is COc1ccccc1N(CCCC(=O)NCc1ccncc1)S(C)(=O)=O.
What is the InChIKey of 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is ULVFNQDZMFQOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-25-17-7-4-3-6-16(17)21(26(2,23)24)13-5-8-18(22)20-14-15-9-11-19-12-10-15/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,20,22).
What are the key properties of 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide?
4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 377.47 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 53288641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).