3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide

C14H15ClN2O2S — CID 111778066

IUPAC3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-4-12(20-13)9-17-11-3-1-2-10(8-11)14(19)16-6-7-18/h1-5,8,17-18H,6-7,9H2,(H,16,19)
InChIKeyDNUWSSFAOMKRAR-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.74
Rot. Bonds6

About 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide

3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 111778066) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID111778066
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-4-12(20-13)9-17-11-3-1-2-10(8-11)14(19)16-6-7-18/h1-5,8,17-18H,6-7,9H2,(H,16,19)
InChIKeyDNUWSSFAOMKRAR-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chlorothiophen-2-yl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111778047
3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide
CID 100697415
3-[(2-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111778065
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-(2-hydroxyethyl)-3-[(4-nitrophenyl)methylamino]benzamide
CID 111601554
3-[(4,5-dibromothiophen-2-yl)methylamino]-N-propylbenzamide
CID 102831885
dimethyl 5-[(5-chlorothiophen-2-yl)methylamino]benzene-1,3-dicarboxylate
CID 78822309
2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720144
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 54864777
3-[3-[(5-chlorothiophen-2-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 77033251
N-(2-hydroxyethyl)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 111461720
3-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 111601563

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide (CID 111778066) is 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(NCc2ccc(Cl)s2)c1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is DNUWSSFAOMKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-13-5-4-12(20-13)9-17-11-3-1-2-10(8-11)14(19)16-6-7-18/h1-5,8,17-18H,6-7,9H2,(H,16,19).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 310.81 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 111778066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).