N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide

C14H20N2O4S — CID 104630584

IUPACN-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NC1(CO)CCOCC1
InChIInChI=1S/C14H20N2O4S/c17-10-14(3-6-20-7-4-14)16-12(18)1-5-15-13(19)11-2-8-21-9-11/h2,8-9,17H,1,3-7,10H2,(H,15,19)(H,16,18)
InChIKeyWCIRADUIRQFMCT-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.53
Rot. Bonds6

About N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 104630584) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID104630584
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)NC1(CO)CCOCC1
InChIInChI=1S/C14H20N2O4S/c17-10-14(3-6-20-7-4-14)16-12(18)1-5-15-13(19)11-2-8-21-9-11/h2,8-9,17H,1,3-7,10H2,(H,15,19)(H,16,18)
InChIKeyWCIRADUIRQFMCT-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-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 79037145
N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 103849579
N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
CID 119214636
N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540062
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540063
2-methyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]propanoic acid
CID 61263000
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-(3-methyloxetan-3-yl)thiophene-3-carboxamide
CID 144942729
N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 55951920

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide (CID 104630584) is N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)NC1(CO)CCOCC1.
What is the InChIKey of N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is WCIRADUIRQFMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-10-14(3-6-20-7-4-14)16-12(18)1-5-15-13(19)11-2-8-21-9-11/h2,8-9,17H,1,3-7,10H2,(H,15,19)(H,16,18).
What are the key properties of N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-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-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 104630584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).