N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide

C16H22N4O4S3 — CID 11998674

IUPACN-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCCN3CCOCC3)c2)s1
InChIInChI=1S/C16H22N4O4S3/c1-11-15(26-16(18-11)19-12(2)21)13-9-14(25-10-13)27(22,23)17-3-4-20-5-7-24-8-6-20/h9-10,17H,3-8H2,1-2H3,(H,18,19,21)
InChIKeyMKYXBTHILKBXIO-UHFFFAOYSA-N
MW430.58 g/mol
LogP1.75
Rot. Bonds7

About N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 11998674) has the molecular formula C16H22N4O4S3 and a molecular weight of 430.58 g/mol. Its IUPAC name is N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID11998674
Molecular FormulaC16H22N4O4S3
Molecular Weight430.58 g/mol
Exact Mass430.08
IUPAC NameN-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCCN3CCOCC3)c2)s1
InChIInChI=1S/C16H22N4O4S3/c1-11-15(26-16(18-11)19-12(2)21)13-9-14(25-10-13)27(22,23)17-3-4-20-5-7-24-8-6-20/h9-10,17H,3-8H2,1-2H3,(H,18,19,21)
InChIKeyMKYXBTHILKBXIO-UHFFFAOYSA-N
XLogP1.75
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11999020
N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11998679
N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 174547288
N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 11998676
N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11999019
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
N-[4-methyl-5-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 90336138
N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 71462973
N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87061286
N-[2-methoxy-5-(2-morpholin-4-ylethylsulfamoyl)phenyl]acetamide
CID 8777848
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 20947489
2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride
CID 53314568

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide (CID 11998674) is N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NCCN3CCOCC3)c2)s1.
What is the InChIKey of N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MKYXBTHILKBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S3/c1-11-15(26-16(18-11)19-12(2)21)13-9-14(25-10-13)27(22,23)17-3-4-20-5-7-24-8-6-20/h9-10,17H,3-8H2,1-2H3,(H,18,19,21).
What are the key properties of N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 430.58 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11998674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).