N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide

C16H23N3O4S2 — CID 119939619

IUPACN-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(NC(=O)CC2CSCCN2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C16H23N3O4S2/c1-23-14-5-4-12(8-15(14)25(21,22)19-11-2-3-11)18-16(20)9-13-10-24-7-6-17-13/h4-5,8,11,13,17,19H,2-3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyOHVSKULXAQIXCA-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.17
Rot. Bonds7

About N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide

N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939619) has the molecular formula C16H23N3O4S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939619
Molecular FormulaC16H23N3O4S2
Molecular Weight385.51 g/mol
Exact Mass385.11
IUPAC NameN-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(NC(=O)CC2CSCCN2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C16H23N3O4S2/c1-23-14-5-4-12(8-15(14)25(21,22)19-11-2-3-11)18-16(20)9-13-10-24-7-6-17-13/h4-5,8,11,13,17,19H,2-3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyOHVSKULXAQIXCA-UHFFFAOYSA-N
XLogP1.17
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
CID 119331495
N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 119940156
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119331466
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide
CID 119797457
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 119797467
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935877

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide (CID 119939619) is N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide is COc1ccc(NC(=O)CC2CSCCN2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is OHVSKULXAQIXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S2/c1-23-14-5-4-12(8-15(14)25(21,22)19-11-2-3-11)18-16(20)9-13-10-24-7-6-17-13/h4-5,8,11,13,17,19H,2-3,6-7,9-10H2,1H3,(H,18,20).
What are the key properties of N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 385.51 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).