(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C20H27N5O4S2 — CID 40820824

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C20H27N5O4S2/c1-14(24-31(28,29)18-8-6-16(7-9-18)21-15(2)26)19(27)23-20-22-17(13-30-20)12-25-10-4-3-5-11-25/h6-9,13-14,24H,3-5,10-12H2,1-2H3,(H,21,26)(H,22,23,27)/t14-/m0/s1
InChIKeyTYEPUHJLGKEFLO-AWEZNQCLSA-N
MW465.60 g/mol
LogP2.39
Rot. Bonds8

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 40820824) has the molecular formula C20H27N5O4S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID40820824
Molecular FormulaC20H27N5O4S2
Molecular Weight465.60 g/mol
Exact Mass465.15
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C20H27N5O4S2/c1-14(24-31(28,29)18-8-6-16(7-9-18)21-15(2)26)19(27)23-20-22-17(13-30-20)12-25-10-4-3-5-11-25/h6-9,13-14,24H,3-5,10-12H2,1-2H3,(H,21,26)(H,22,23,27)/t14-/m0/s1
InChIKeyTYEPUHJLGKEFLO-AWEZNQCLSA-N
XLogP2.39
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 55941476
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 26129310
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55972269
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 167983152
2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 120669325
2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182384
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 55936156
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 40820824) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc(CN3CCCCC3)cs2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is TYEPUHJLGKEFLO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N5O4S2/c1-14(24-31(28,29)18-8-6-16(7-9-18)21-15(2)26)19(27)23-20-22-17(13-30-20)12-25-10-4-3-5-11-25/h6-9,13-14,24H,3-5,10-12H2,1-2H3,(H,21,26)(H,22,23,27)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 465.60 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 40820824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).