2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide

C17H28N4O2S — CID 78888857

IUPAC2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide
SMILESCC(C)CN(CCN(C)C)C(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C17H28N4O2S/c1-13(2)11-21(10-9-20(3)4)17(23)19-14-7-5-6-8-15(14)24-12-16(18)22/h5-8,13H,9-12H2,1-4H3,(H2,18,22)(H,19,23)
InChIKeyQCEGYAYWPGDVKB-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.32
Rot. Bonds9

About 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide

2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide (PubChem CID 78888857) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide
PubChem CID78888857
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide
SMILESCC(C)CN(CCN(C)C)C(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C17H28N4O2S/c1-13(2)11-21(10-9-20(3)4)17(23)19-14-7-5-6-8-15(14)24-12-16(18)22/h5-8,13H,9-12H2,1-4H3,(H2,18,22)(H,19,23)
InChIKeyQCEGYAYWPGDVKB-UHFFFAOYSA-N
XLogP2.32
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]sulfanylpropanamide
CID 56587087
1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea
CID 86999370
2-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]sulfanylacetamide
CID 95310626
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-methylbutanamide
CID 65225017
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methylbutanamide
CID 80543338
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(methylamino)butanamide
CID 54925110
N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 61377482
3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273985

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide (CID 78888857) is 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide is CC(C)CN(CCN(C)C)C(=O)Nc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide?
The InChIKey is QCEGYAYWPGDVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-13(2)11-21(10-9-20(3)4)17(23)19-14-7-5-6-8-15(14)24-12-16(18)22/h5-8,13H,9-12H2,1-4H3,(H2,18,22)(H,19,23).
What are the key properties of 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide?
2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide has a molecular weight of 352.50 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 78888857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).