tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate

C20H27N3O3S — CID 17467084

IUPACtert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate
SMILESCN(C)C(CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1cccs1
InChIInChI=1S/C20H27N3O3S/c1-20(2,3)26-19(25)22-15-10-8-14(9-11-15)18(24)21-13-16(23(4)5)17-7-6-12-27-17/h6-12,16H,13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyJHKQZCGKVOCKSF-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.13
Rot. Bonds6

About tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate

tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate (PubChem CID 17467084) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate
PubChem CID17467084
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Nametert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate
SMILESCN(C)C(CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1cccs1
InChIInChI=1S/C20H27N3O3S/c1-20(2,3)26-19(25)22-15-10-8-14(9-11-15)18(24)21-13-16(23(4)5)17-7-6-12-27-17/h6-12,16H,13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyJHKQZCGKVOCKSF-UHFFFAOYSA-N
XLogP4.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
CID 27770407
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 18161921
tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate
CID 43021913
4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 51981001
tert-butyl N-[3-[[N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887508
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate (CID 17467084) is tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate is CN(C)C(CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1cccs1.
What is the InChIKey of tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate?
The InChIKey is JHKQZCGKVOCKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-20(2,3)26-19(25)22-15-10-8-14(9-11-15)18(24)21-13-16(23(4)5)17-7-6-12-27-17/h6-12,16H,13H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate has a molecular weight of 389.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 17467084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).