N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide

C16H26N2O5S — CID 113145132

IUPACN-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
SMILESCCC(C)NC(=O)CCN(c1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-6-12(2)17-16(19)9-10-18(24(5,20)21)14-8-7-13(22-3)11-15(14)23-4/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,19)
InChIKeyMKVXGBUDUJITCH-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.77
Rot. Bonds9

About N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide

N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113145132) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
PubChem CID113145132
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
SMILESCCC(C)NC(=O)CCN(c1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-6-12(2)17-16(19)9-10-18(24(5,20)21)14-8-7-13(22-3)11-15(14)23-4/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,19)
InChIKeyMKVXGBUDUJITCH-UHFFFAOYSA-N
XLogP1.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113145127
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide
CID 165347304
N-[(2S)-butan-2-yl]-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126122626
N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070811
N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145878
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethoxyphenyl)methanesulfonamide
CID 113145157
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 2271520
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133163169
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 30396951

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide (CID 113145132) is N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide is CCC(C)NC(=O)CCN(c1ccc(OC)cc1OC)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is MKVXGBUDUJITCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-6-12(2)17-16(19)9-10-18(24(5,20)21)14-8-7-13(22-3)11-15(14)23-4/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,19).
What are the key properties of N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide?
N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 358.46 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113145132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).