3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

C17H20ClN3O3S2 — CID 24611804

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C17H20ClN3O3S2/c18-12-6-8-13(9-7-12)26(23,24)19-11-10-16(22)21-17-20-14-4-2-1-3-5-15(14)25-17/h6-9,19H,1-5,10-11H2,(H,20,21,22)
InChIKeyJAZXOPSVVPHXHW-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.37
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (PubChem CID 24611804) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
PubChem CID24611804
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C17H20ClN3O3S2/c18-12-6-8-13(9-7-12)26(23,24)19-11-10-16(22)21-17-20-14-4-2-1-3-5-15(14)25-17/h6-9,19H,1-5,10-11H2,(H,20,21,22)
InChIKeyJAZXOPSVVPHXHW-UHFFFAOYSA-N
XLogP3.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 42333927
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 4857704
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 30254375
4-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43054170
3-(benzenesulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 5310254
2-chloro-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]benzamide
CID 7948509
3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24647552
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
2-chloro-5-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 42334605
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2474440
3-(2,6-difluorophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 55652063

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (CID 24611804) is 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The InChIKey is JAZXOPSVVPHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c18-12-6-8-13(9-7-12)26(23,24)19-11-10-16(22)21-17-20-14-4-2-1-3-5-15(14)25-17/h6-9,19H,1-5,10-11H2,(H,20,21,22).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide has a molecular weight of 413.95 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 24611804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).