3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide

C17H23N3O4S2 — CID 156586306

IUPAC3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
SMILESCCCc1sc(NC(=O)CCNS(C)(=O)=O)nc1-c1ccc(OC)cc1
InChIInChI=1S/C17H23N3O4S2/c1-4-5-14-16(12-6-8-13(24-2)9-7-12)20-17(25-14)19-15(21)10-11-18-26(3,22)23/h6-9,18H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyGTOYOPWEDPNZHI-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.65
Rot. Bonds9

About 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide

3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide (PubChem CID 156586306) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
PubChem CID156586306
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC Name3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
SMILESCCCc1sc(NC(=O)CCNS(C)(=O)=O)nc1-c1ccc(OC)cc1
InChIInChI=1S/C17H23N3O4S2/c1-4-5-14-16(12-6-8-13(24-2)9-7-12)20-17(25-14)19-15(21)10-11-18-26(3,22)23/h6-9,18H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyGTOYOPWEDPNZHI-UHFFFAOYSA-N
XLogP2.65
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126199401
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 163248367
N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 46972103
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1348974
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 157015729
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 126204500
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 11840384
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126200117

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide (CID 156586306) is 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide is CCCc1sc(NC(=O)CCNS(C)(=O)=O)nc1-c1ccc(OC)cc1.
What is the InChIKey of 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is GTOYOPWEDPNZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c1-4-5-14-16(12-6-8-13(24-2)9-7-12)20-17(25-14)19-15(21)10-11-18-26(3,22)23/h6-9,18H,4-5,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide?
3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 156586306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).