[4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone

C26H29N3O6S3 — CID 141447760

IUPAC[4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone
SMILESCC1(COc2ccc(S(C)(=O)=O)cc2C(=O)N2CCN(c3ncc(S(=O)(=O)c4ccccc4)s3)CC2)CC1
InChIInChI=1S/C26H29N3O6S3/c1-26(10-11-26)18-35-22-9-8-20(37(2,31)32)16-21(22)24(30)28-12-14-29(15-13-28)25-27-17-23(36-25)38(33,34)19-6-4-3-5-7-19/h3-9,16-17H,10-15,18H2,1-2H3
InChIKeyKDSWGEANOYCXKE-UHFFFAOYSA-N
MW575.73 g/mol
LogP3.52
Rot. Bonds8

About [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone

[4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone (PubChem CID 141447760) has the molecular formula C26H29N3O6S3 and a molecular weight of 575.73 g/mol. Its IUPAC name is [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone.

Molecular Properties

Compound Name[4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone
PubChem CID141447760
Molecular FormulaC26H29N3O6S3
Molecular Weight575.73 g/mol
Exact Mass575.12
IUPAC Name[4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone
SMILESCC1(COc2ccc(S(C)(=O)=O)cc2C(=O)N2CCN(c3ncc(S(=O)(=O)c4ccccc4)s3)CC2)CC1
InChIInChI=1S/C26H29N3O6S3/c1-26(10-11-26)18-35-22-9-8-20(37(2,31)32)16-21(22)24(30)28-12-14-29(15-13-28)25-27-17-23(36-25)38(33,34)19-6-4-3-5-7-19/h3-9,16-17H,10-15,18H2,1-2H3
InChIKeyKDSWGEANOYCXKE-UHFFFAOYSA-N
XLogP3.52
TPSA113.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.73
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(5-pyridin-4-ylsulfonyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 21100250
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-methylsulfonylphenyl]methanone
CID 141447780
[4-(2,4-difluorophenyl)piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone
CID 141447773
[4-(5-butylsulfonyl-1,3-thiazol-2-yl)piperazin-1-yl]-[2-(cyclopentylmethoxy)-5-methylsulfonylphenyl]methanone
CID 11599452
(2-butan-2-yloxy-5-methylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 21100156
[5-methylsulfonyl-2-(1,1,1-trifluorobutan-2-yloxy)phenyl]-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 21100303
[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 11699386
2-[4-(2-cyclohexyloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]-1,3-thiazole-5-carbonitrile
CID 21100209
(2-chloro-5-methylsulfonylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415357
[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]-(2-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)methanone
CID 118479441
(2-chlorophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25320245
methyl 5-[4-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)piperazin-1-yl]pyrazine-2-carboxylate
CID 141255612

Frequently Asked Questions

What is the IUPAC name of [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone?
The IUPAC name of [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone (CID 141447760) is [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone.
What is the SMILES notation for [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone?
The canonical SMILES for [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone is CC1(COc2ccc(S(C)(=O)=O)cc2C(=O)N2CCN(c3ncc(S(=O)(=O)c4ccccc4)s3)CC2)CC1.
What is the InChIKey of [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone?
The InChIKey is KDSWGEANOYCXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6S3/c1-26(10-11-26)18-35-22-9-8-20(37(2,31)32)16-21(22)24(30)28-12-14-29(15-13-28)25-27-17-23(36-25)38(33,34)19-6-4-3-5-7-19/h3-9,16-17H,10-15,18H2,1-2H3.
What are the key properties of [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone?
[4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone has a molecular weight of 575.73 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-5-methylsulfonylphenyl]methanone is sourced from PubChem (CID 141447760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).