N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide

C15H20N4OS — CID 119940828

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H20N4OS/c20-15(9-11-10-21-8-7-16-11)17-6-5-14-18-12-3-1-2-4-13(12)19-14/h1-4,11,16H,5-10H2,(H,17,20)(H,18,19)
InChIKeyXOWIQTPOGQCMPP-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940828) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940828
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H20N4OS/c20-15(9-11-10-21-8-7-16-11)17-6-5-14-18-12-3-1-2-4-13(12)19-14/h1-4,11,16H,5-10H2,(H,17,20)(H,18,19)
InChIKeyXOWIQTPOGQCMPP-UHFFFAOYSA-N
XLogP1.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119838297
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 113269028
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941326
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119940828) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is XOWIQTPOGQCMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c20-15(9-11-10-21-8-7-16-11)17-6-5-14-18-12-3-1-2-4-13(12)19-14/h1-4,11,16H,5-10H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 304.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).