5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide

C16H18ClN3O2S — CID 119342331

IUPAC5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C16H18ClN3O2S/c1-16(2,18)15(22)20-10-5-6-13(17)12(8-10)14(21)19-9-11-4-3-7-23-11/h3-8H,9,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyOCALPMKFUNCCAQ-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.01
Rot. Bonds5

About 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide

5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 119342331) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID119342331
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C16H18ClN3O2S/c1-16(2,18)15(22)20-10-5-6-13(17)12(8-10)14(21)19-9-11-4-3-7-23-11/h3-8H,9,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyOCALPMKFUNCCAQ-UHFFFAOYSA-N
XLogP3.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide (CID 119342331) is 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide is CC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1.
What is the InChIKey of 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is OCALPMKFUNCCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-16(2,18)15(22)20-10-5-6-13(17)12(8-10)14(21)19-9-11-4-3-7-23-11/h3-8H,9,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide?
5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 351.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-methylpropanoyl)amino]-2-chloro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 119342331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).