N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

C19H27N3O3S2 — CID 24648488

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C19H27N3O3S2/c1-13(2)14-6-8-15(9-7-14)27(24,25)20-11-10-17(23)22-18-21-16(12-26-18)19(3,4)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,21,22,23)
InChIKeyHKDKESZPWDUDDO-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.87
Rot. Bonds7

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (PubChem CID 24648488) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
PubChem CID24648488
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C19H27N3O3S2/c1-13(2)14-6-8-15(9-7-14)27(24,25)20-11-10-17(23)22-18-21-16(12-26-18)19(3,4)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,21,22,23)
InChIKeyHKDKESZPWDUDDO-UHFFFAOYSA-N
XLogP3.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254347
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24575388
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide
CID 86899870
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
N-(3-fluoro-4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24537348
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24667507
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (CID 24648488) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is CC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C(C)(C)C)cs2)cc1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The InChIKey is HKDKESZPWDUDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-13(2)14-6-8-15(9-7-14)27(24,25)20-11-10-17(23)22-18-21-16(12-26-18)19(3,4)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,21,22,23).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide has a molecular weight of 409.58 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24648488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).