1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

C18H22N4O4S2 — CID 16827166

IUPAC1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1
InChIInChI=1S/C18H22N4O4S2/c1-12-2-4-15(5-3-12)28(25,26)21-18-20-14(11-27-18)10-16(23)22-8-6-13(7-9-22)17(19)24/h2-5,11,13H,6-10H2,1H3,(H2,19,24)(H,20,21)
InChIKeyUEDAGHRYUZTRMR-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.52
Rot. Bonds6

About 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide

1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (PubChem CID 16827166) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
PubChem CID16827166
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC Name1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1
InChIInChI=1S/C18H22N4O4S2/c1-12-2-4-15(5-3-12)28(25,26)21-18-20-14(11-27-18)10-16(23)22-8-6-13(7-9-22)17(19)24/h2-5,11,13H,6-10H2,1H3,(H2,19,24)(H,20,21)
InChIKeyUEDAGHRYUZTRMR-UHFFFAOYSA-N
XLogP1.52
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16827165
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
N-(cyclohexylmethyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 16827164
1-[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]acetyl]piperidine-4-carboxamide
CID 55595981
2-[[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18571981
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 27377791
N-(2,5-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970874
1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41211525
N-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 79029892
N-(2,4-dimethylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 20970873
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide (CID 16827166) is 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1.
What is the InChIKey of 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is UEDAGHRYUZTRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S2/c1-12-2-4-15(5-3-12)28(25,26)21-18-20-14(11-27-18)10-16(23)22-8-6-13(7-9-22)17(19)24/h2-5,11,13H,6-10H2,1H3,(H2,19,24)(H,20,21).
What are the key properties of 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide?
1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 16827166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).