N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C17H22N4O3S2 — CID 46970000

IUPACN-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1C
InChIInChI=1S/C17H22N4O3S2/c1-12-11-16(13(2)10-15(12)19-14(3)22)26(23,24)21-7-5-20(6-8-21)17-18-4-9-25-17/h4,9-11H,5-8H2,1-3H3,(H,19,22)
InChIKeyCIXGPCTXMIHICD-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.23
Rot. Bonds4

About N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 46970000) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID46970000
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1C
InChIInChI=1S/C17H22N4O3S2/c1-12-11-16(13(2)10-15(12)19-14(3)22)26(23,24)21-7-5-20(6-8-21)17-18-4-9-25-17/h4,9-11H,5-8H2,1-3H3,(H,19,22)
InChIKeyCIXGPCTXMIHICD-UHFFFAOYSA-N
XLogP2.23
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 60724620
methyl 2-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]but-2-enoate
CID 77074608
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24627168
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 47267371
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
CID 86914969
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578
(2R)-N-(2,4-dimethylphenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52503740
N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 50876397
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 17447833

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 46970000) is N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1C.
What is the InChIKey of N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is CIXGPCTXMIHICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-12-11-16(13(2)10-15(12)19-14(3)22)26(23,24)21-7-5-20(6-8-21)17-18-4-9-25-17/h4,9-11H,5-8H2,1-3H3,(H,19,22).
What are the key properties of N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 46970000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).