N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide

C14H22N2OS — CID 115271024

IUPACN-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)NCC(C)(C)CN)cc1
InChIInChI=1S/C14H22N2OS/c1-4-18-12-7-5-11(6-8-12)13(17)16-10-14(2,3)9-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyGWPWSDOHJJUYSN-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.51
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide

N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide (PubChem CID 115271024) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
PubChem CID115271024
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)NCC(C)(C)CN)cc1
InChIInChI=1S/C14H22N2OS/c1-4-18-12-7-5-11(6-8-12)13(17)16-10-14(2,3)9-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyGWPWSDOHJJUYSN-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide
CID 110000219
N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 119628946
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
N-(2-amino-2-methylpropyl)-4-benzylsulfanylbenzamide
CID 119629882
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535
4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide
CID 110000117
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-ethylsulfanylbenzamide
CID 110000339
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide (CID 115271024) is N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)NCC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide?
The InChIKey is GWPWSDOHJJUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-18-12-7-5-11(6-8-12)13(17)16-10-14(2,3)9-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide has a molecular weight of 266.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-ethylsulfanylbenzamide is sourced from PubChem (CID 115271024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).