2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide

C18H29N3O4S — CID 119686493

IUPAC2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)CNCC2CC2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C18H29N3O4S/c1-4-21(5-2)26(23,24)17-11-15(9-10-16(17)25-6-3)20-18(22)13-19-12-14-7-8-14/h9-11,14,19H,4-8,12-13H2,1-3H3,(H,20,22)
InChIKeyYKDZLBUYAHFDMK-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.05
Rot. Bonds11

About 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide

2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide (PubChem CID 119686493) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
PubChem CID119686493
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)CNCC2CC2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C18H29N3O4S/c1-4-21(5-2)26(23,24)17-11-15(9-10-16(17)25-6-3)20-18(22)13-19-12-14-7-8-14/h9-11,14,19H,4-8,12-13H2,1-3H3,(H,20,22)
InChIKeyYKDZLBUYAHFDMK-UHFFFAOYSA-N
XLogP2.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24620340
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55337309
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269605
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide (CID 119686493) is 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(=O)CNCC2CC2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The InChIKey is YKDZLBUYAHFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-21(5-2)26(23,24)17-11-15(9-10-16(17)25-6-3)20-18(22)13-19-12-14-7-8-14/h9-11,14,19H,4-8,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide?
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide has a molecular weight of 383.51 g/mol, XLogP of 2.05, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 119686493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).