2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide

C18H20ClN3O2S — CID 9203860

IUPAC2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C18H20ClN3O2S/c1-22(10-13-8-9-16(19)25-13)11-17(23)21-15-5-3-2-4-14(15)18(24)20-12-6-7-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyVPPXMLRQEKGZRQ-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.36
Rot. Bonds7

About 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide

2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 9203860) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID9203860
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C18H20ClN3O2S/c1-22(10-13-8-9-16(19)25-13)11-17(23)21-15-5-3-2-4-14(15)18(24)20-12-6-7-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyVPPXMLRQEKGZRQ-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide (CID 9203860) is 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide is CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is VPPXMLRQEKGZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-22(10-13-8-9-16(19)25-13)11-17(23)21-15-5-3-2-4-14(15)18(24)20-12-6-7-12/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 377.90 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 9203860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).