4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

C17H22N4O2S — CID 51981001

IUPAC4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1cccs1
InChIInChI=1S/C17H22N4O2S/c1-21(2)14(15-4-3-9-24-15)11-19-16(22)13-7-5-12(6-8-13)10-20-17(18)23/h3-9,14H,10-11H2,1-2H3,(H,19,22)(H3,18,20,23)/t14-/m1/s1
InChIKeyXXGZZHZBOAOIDX-CQSZACIVSA-N
MW346.46 g/mol
LogP1.95
Rot. Bonds7

About 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide

4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (PubChem CID 51981001) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
PubChem CID51981001
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1cccs1
InChIInChI=1S/C17H22N4O2S/c1-21(2)14(15-4-3-9-24-15)11-19-16(22)13-7-5-12(6-8-13)10-20-17(18)23/h3-9,14H,10-11H2,1-2H3,(H,19,22)(H3,18,20,23)/t14-/m1/s1
InChIKeyXXGZZHZBOAOIDX-CQSZACIVSA-N
XLogP1.95
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 18161921
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
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
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 9462806
tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate
CID 17467084

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide (CID 51981001) is 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is CN(C)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1cccs1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is XXGZZHZBOAOIDX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-21(2)14(15-4-3-9-24-15)11-19-16(22)13-7-5-12(6-8-13)10-20-17(18)23/h3-9,14H,10-11H2,1-2H3,(H,19,22)(H3,18,20,23)/t14-/m1/s1.
What are the key properties of 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide?
4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 346.46 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 51981001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).