3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide

C19H25ClN4O3S2 — CID 30186906

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC1CCN(Cc2csc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C19H25ClN4O3S2/c1-14-6-9-24(10-7-14)12-16-13-28-19(22-16)23-18(25)5-8-21-29(26,27)17-4-2-3-15(20)11-17/h2-4,11,13-14,21H,5-10,12H2,1H3,(H,22,23,25)
InChIKeyDICYXCCZZBGYGJ-UHFFFAOYSA-N
MW457.02 g/mol
LogP3.34
Rot. Bonds8

About 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 30186906) has the molecular formula C19H25ClN4O3S2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID30186906
Molecular FormulaC19H25ClN4O3S2
Molecular Weight457.02 g/mol
Exact Mass456.11
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC1CCN(Cc2csc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C19H25ClN4O3S2/c1-14-6-9-24(10-7-14)12-16-13-28-19(22-16)23-18(25)5-8-21-29(26,27)17-4-2-3-15(20)11-17/h2-4,11,13-14,21H,5-10,12H2,1H3,(H,22,23,25)
InChIKeyDICYXCCZZBGYGJ-UHFFFAOYSA-N
XLogP3.34
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.02
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 134051901
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 46667855
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30186300
4-bromo-N-[3-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43004968
3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557578
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 30185272
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30186058
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyrrol-1-ylbenzamide
CID 30186483
6-chloro-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 30187151

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (CID 30186906) is 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide is CC1CCN(Cc2csc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is DICYXCCZZBGYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3S2/c1-14-6-9-24(10-7-14)12-16-13-28-19(22-16)23-18(25)5-8-21-29(26,27)17-4-2-3-15(20)11-17/h2-4,11,13-14,21H,5-10,12H2,1H3,(H,22,23,25).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 457.02 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 30186906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).