4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide

C22H24N2O4S2 — CID 41273043

IUPAC4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCOc1ccc(-c2csc(NC(=O)CCCS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N2O4S2/c1-2-14-28-18-12-10-17(11-13-18)20-16-29-22(23-20)24-21(25)9-6-15-30(26,27)19-7-4-3-5-8-19/h3-5,7-8,10-13,16H,2,6,9,14-15H2,1H3,(H,23,24,25)
InChIKeyWNGCCHBQSWQDIS-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.79
Rot. Bonds10

About 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide

4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 41273043) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID41273043
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC Name4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCOc1ccc(-c2csc(NC(=O)CCCS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C22H24N2O4S2/c1-2-14-28-18-12-10-17(11-13-18)20-16-29-22(23-20)24-21(25)9-6-15-30(26,27)19-7-4-3-5-8-19/h3-5,7-8,10-13,16H,2,6,9,14-15H2,1H3,(H,23,24,25)
InChIKeyWNGCCHBQSWQDIS-UHFFFAOYSA-N
XLogP4.79
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
4-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide
CID 41087352
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273735
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19197319
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide
CID 41273052
methyl 4-[2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-thiazol-4-yl]benzoate
CID 41274445

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide (CID 41273043) is 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide is CCCOc1ccc(-c2csc(NC(=O)CCCS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is WNGCCHBQSWQDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-2-14-28-18-12-10-17(11-13-18)20-16-29-22(23-20)24-21(25)9-6-15-30(26,27)19-7-4-3-5-8-19/h3-5,7-8,10-13,16H,2,6,9,14-15H2,1H3,(H,23,24,25).
What are the key properties of 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide?
4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 444.58 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 41273043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).