N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide

C15H17ClN2O2S — CID 21070790

IUPACN-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NCC(O)CNCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c16-14-7-6-13(21-14)15(20)18-10-12(19)9-17-8-11-4-2-1-3-5-11/h1-7,12,17,19H,8-10H2,(H,18,20)
InChIKeyUKTGQGAYMHWGBC-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.28
Rot. Bonds7

About N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide

N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide (PubChem CID 21070790) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
PubChem CID21070790
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
SMILESO=C(NCC(O)CNCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c16-14-7-6-13(21-14)15(20)18-10-12(19)9-17-8-11-4-2-1-3-5-11/h1-7,12,17,19H,8-10H2,(H,18,20)
InChIKeyUKTGQGAYMHWGBC-UHFFFAOYSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42910726
5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
CID 166326558
5-chloro-N-[(2R)-2-hydroxy-3-[4-(2-hydroxyethylamino)anilino]propyl]thiophene-2-carboxamide
CID 90168959
N-benzyl-2-(5-chlorothiophen-2-yl)-2-oxoacetamide
CID 94288947
5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95986574
1-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 56826094
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide (CID 21070790) is N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide is O=C(NCC(O)CNCc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is UKTGQGAYMHWGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-14-7-6-13(21-14)15(20)18-10-12(19)9-17-8-11-4-2-1-3-5-11/h1-7,12,17,19H,8-10H2,(H,18,20).
What are the key properties of N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide?
N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 21070790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).