2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

C14H23ClN2O4S2 — CID 134059052

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H23ClN2O4S2/c1-11(2)9-17(7-8-21-4)13(18)10-16(3)23(19,20)14-6-5-12(15)22-14/h5-6,11H,7-10H2,1-4H3
InChIKeyWRJNVIXMFNOZAP-UHFFFAOYSA-N
MW382.94 g/mol
LogP2.15
Rot. Bonds9

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (PubChem CID 134059052) has the molecular formula C14H23ClN2O4S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
PubChem CID134059052
Molecular FormulaC14H23ClN2O4S2
Molecular Weight382.94 g/mol
Exact Mass382.08
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
SMILESCOCCN(CC(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H23ClN2O4S2/c1-11(2)9-17(7-8-21-4)13(18)10-16(3)23(19,20)14-6-5-12(15)22-14/h5-6,11H,7-10H2,1-4H3
InChIKeyWRJNVIXMFNOZAP-UHFFFAOYSA-N
XLogP2.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide (CID 134059052) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide is COCCN(CC(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
The InChIKey is WRJNVIXMFNOZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O4S2/c1-11(2)9-17(7-8-21-4)13(18)10-16(3)23(19,20)14-6-5-12(15)22-14/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide has a molecular weight of 382.94 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 134059052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).