3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide

C16H18ClN3O2S — CID 55698318

IUPAC3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)N(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C16H18ClN3O2S/c1-19(2)15(21)11-5-4-6-12(9-11)18-16(22)20(3)10-13-7-8-14(17)23-13/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyFERJUBYBCIWBCV-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.77
Rot. Bonds4

About 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide

3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide (PubChem CID 55698318) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
PubChem CID55698318
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)N(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C16H18ClN3O2S/c1-19(2)15(21)11-5-4-6-12(9-11)18-16(22)20(3)10-13-7-8-14(17)23-13/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyFERJUBYBCIWBCV-UHFFFAOYSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 34132033
3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
CID 71865083
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
CID 55816812
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
3-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8694053
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9375200

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide (CID 55698318) is 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)N(C)Cc2ccc(Cl)s2)c1.
What is the InChIKey of 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is FERJUBYBCIWBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-19(2)15(21)11-5-4-6-12(9-11)18-16(22)20(3)10-13-7-8-14(17)23-13/h4-9H,10H2,1-3H3,(H,18,22).
What are the key properties of 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide?
3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 351.86 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55698318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).