2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C22H28N4O3S2 — CID 4178192

IUPAC2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)CCN(CC(=O)Nc1nc(C)cs1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C22H28N4O3S2/c1-4-25(5-2)13-14-26(15-21(27)24-22-23-17(3)16-30-22)31(28,29)20-12-8-10-18-9-6-7-11-19(18)20/h6-12,16H,4-5,13-15H2,1-3H3,(H,23,24,27)
InChIKeyGPZPWINOYSYSKQ-UHFFFAOYSA-N
MW460.63 g/mol
LogP3.58
Rot. Bonds10

About 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4178192) has the molecular formula C22H28N4O3S2 and a molecular weight of 460.63 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4178192
Molecular FormulaC22H28N4O3S2
Molecular Weight460.63 g/mol
Exact Mass460.16
IUPAC Name2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(CC)CCN(CC(=O)Nc1nc(C)cs1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C22H28N4O3S2/c1-4-25(5-2)13-14-26(15-21(27)24-22-23-17(3)16-30-22)31(28,29)20-12-8-10-18-9-6-7-11-19(18)20/h6-12,16H,4-5,13-15H2,1-3H3,(H,23,24,27)
InChIKeyGPZPWINOYSYSKQ-UHFFFAOYSA-N
XLogP3.58
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(diethylamino)ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42770888
2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769352
4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3488841
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47123357
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
CID 42740730
2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4247188
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51185664
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
2-[2-(dimethylamino)ethyl-(4-nitrophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3369626
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4880323
2-[ethyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123515
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 4178192) is 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCN(CC)CCN(CC(=O)Nc1nc(C)cs1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GPZPWINOYSYSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S2/c1-4-25(5-2)13-14-26(15-21(27)24-22-23-17(3)16-30-22)31(28,29)20-12-8-10-18-9-6-7-11-19(18)20/h6-12,16H,4-5,13-15H2,1-3H3,(H,23,24,27).
What are the key properties of 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 460.63 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4178192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).