N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide

C14H20N2O5S — CID 969683

IUPACN-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1OC
InChIInChI=1S/C14H20N2O5S/c1-16(9-14(17)15-10-4-5-10)22(18,19)11-6-7-12(20-2)13(8-11)21-3/h6-8,10H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyTZZSDLGKTPADNR-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.60
Rot. Bonds7

About N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide

N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 969683) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID969683
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1OC
InChIInChI=1S/C14H20N2O5S/c1-16(9-14(17)15-10-4-5-10)22(18,19)11-6-7-12(20-2)13(8-11)21-3/h6-8,10H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyTZZSDLGKTPADNR-UHFFFAOYSA-N
XLogP0.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide (CID 969683) is N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is TZZSDLGKTPADNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-16(9-14(17)15-10-4-5-10)22(18,19)11-6-7-12(20-2)13(8-11)21-3/h6-8,10H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide?
N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 328.39 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 969683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).