N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide

C14H20N2O4S — CID 79037145

IUPACN-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC1(O)CCOCC1
InChIInChI=1S/C14H20N2O4S/c17-12(16-10-14(19)3-6-20-7-4-14)1-5-15-13(18)11-2-8-21-9-11/h2,8-9,19H,1,3-7,10H2,(H,15,18)(H,16,17)
InChIKeyXCJUCVGCQVYRAE-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.53
Rot. Bonds6

About N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 79037145) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID79037145
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NCC1(O)CCOCC1
InChIInChI=1S/C14H20N2O4S/c17-12(16-10-14(19)3-6-20-7-4-14)1-5-15-13(18)11-2-8-21-9-11/h2,8-9,19H,1,3-7,10H2,(H,15,18)(H,16,17)
InChIKeyXCJUCVGCQVYRAE-UHFFFAOYSA-N
XLogP0.53
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 103849579
N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 104630584
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 65118946
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 55951920
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide
CID 111486054
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 46437044

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 79037145) is N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NCC1(O)CCOCC1.
What is the InChIKey of N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is XCJUCVGCQVYRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-12(16-10-14(19)3-6-20-7-4-14)1-5-15-13(18)11-2-8-21-9-11/h2,8-9,19H,1,3-7,10H2,(H,15,18)(H,16,17).
What are the key properties of N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 79037145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).