N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide

C16H23ClN2O4S — CID 31289717

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-6-19(10-14(20)18-16(2,3)4)15(21)12-9-11(24(5,22)23)7-8-13(12)17/h7-9H,6,10H2,1-5H3,(H,18,20)
InChIKeySGRLTGRXHBJYMK-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide (PubChem CID 31289717) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide
PubChem CID31289717
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-6-19(10-14(20)18-16(2,3)4)15(21)12-9-11(24(5,22)23)7-8-13(12)17/h7-9H,6,10H2,1-5H3,(H,18,20)
InChIKeySGRLTGRXHBJYMK-UHFFFAOYSA-N
XLogP2.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
CID 35362085
[2-(tert-butylamino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2502676
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55605684
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 55368520
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65387463
2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
CID 134060819
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide
CID 24660340
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 24546452
2-chloro-N-ethyl-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 55343818

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide (CID 31289717) is N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide?
The InChIKey is SGRLTGRXHBJYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-6-19(10-14(20)18-16(2,3)4)15(21)12-9-11(24(5,22)23)7-8-13(12)17/h7-9H,6,10H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide has a molecular weight of 374.89 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 31289717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).