N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide

C15H18N2O3S — CID 18162547

IUPACN-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(CCc1ccco1)NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H18N2O3S/c1-11(6-7-12-4-2-8-20-12)17-14(18)10-16-15(19)13-5-3-9-21-13/h2-5,8-9,11H,6-7,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyFCMQSVPJYKIJIT-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.21
Rot. Bonds7

About N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18162547) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18162547
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(CCc1ccco1)NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H18N2O3S/c1-11(6-7-12-4-2-8-20-12)17-14(18)10-16-15(19)13-5-3-9-21-13/h2-5,8-9,11H,6-7,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyFCMQSVPJYKIJIT-UHFFFAOYSA-N
XLogP2.21
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18162543
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
CID 120506210
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N'-[3-(furan-2-yl)propanoyl]thiophene-2-carbohydrazide
CID 47123763
N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 103759054
N-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 112795550
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
N-ethyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide
CID 43401748

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 18162547) is N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide is CC(CCc1ccco1)NC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is FCMQSVPJYKIJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(6-7-12-4-2-8-20-12)17-14(18)10-16-15(19)13-5-3-9-21-13/h2-5,8-9,11H,6-7,10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18162547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).