N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide

C18H25N3O3S2 — CID 10126646

IUPACN,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ncc(CC(=O)N(CC)CC)s2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-4-7-14-8-10-16(11-9-14)26(23,24)20-18-19-13-15(25-18)12-17(22)21(5-2)6-3/h8-11,13H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyWHYWGODZZLROBX-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.31
Rot. Bonds9

About N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide

N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide (PubChem CID 10126646) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide
PubChem CID10126646
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ncc(CC(=O)N(CC)CC)s2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-4-7-14-8-10-16(11-9-14)26(23,24)20-18-19-13-15(25-18)12-17(22)21(5-2)6-3/h8-11,13H,4-7,12H2,1-3H3,(H,19,20)
InChIKeyWHYWGODZZLROBX-UHFFFAOYSA-N
XLogP3.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide (CID 10126646) is N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide is CCCc1ccc(S(=O)(=O)Nc2ncc(CC(=O)N(CC)CC)s2)cc1.
What is the InChIKey of N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide?
The InChIKey is WHYWGODZZLROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-4-7-14-8-10-16(11-9-14)26(23,24)20-18-19-13-15(25-18)12-17(22)21(5-2)6-3/h8-11,13H,4-7,12H2,1-3H3,(H,19,20).
What are the key properties of N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide?
N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 10126646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).