N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C16H20N2O3S — CID 18162543

IUPACN-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)CCc2ccco2)s1
InChIInChI=1S/C16H20N2O3S/c1-11(5-7-13-4-3-9-21-13)18-15(19)10-17-16(20)14-8-6-12(2)22-14/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVQBJWYOXFZSMST-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds7

About N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 18162543) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID18162543
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)CCc2ccco2)s1
InChIInChI=1S/C16H20N2O3S/c1-11(5-7-13-4-3-9-21-13)18-15(19)10-17-16(20)14-8-6-12(2)22-14/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVQBJWYOXFZSMST-UHFFFAOYSA-N
XLogP2.52
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
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]thiophene-2-carboxamide
CID 18162547
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
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-[4-(furan-2-yl)butan-2-yl]-5-nitrothiophene-2-carboxamide
CID 18162486
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
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 18162543) is N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NC(C)CCc2ccco2)s1.
What is the InChIKey of N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is VQBJWYOXFZSMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(5-7-13-4-3-9-21-13)18-15(19)10-17-16(20)14-8-6-12(2)22-14/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 18162543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).