N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

C16H22N2O4S2 — CID 24639156

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCc1ccc(CN(C)C(=O)CCCN(C)S(=O)(=O)c2cccs2)o1
InChIInChI=1S/C16H22N2O4S2/c1-13-8-9-14(22-13)12-17(2)15(19)6-4-10-18(3)24(20,21)16-7-5-11-23-16/h5,7-9,11H,4,6,10,12H2,1-3H3
InChIKeyDONSAWYWMXXVME-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.71
Rot. Bonds8

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 24639156) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID24639156
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCc1ccc(CN(C)C(=O)CCCN(C)S(=O)(=O)c2cccs2)o1
InChIInChI=1S/C16H22N2O4S2/c1-13-8-9-14(22-13)12-17(2)15(19)6-4-10-18(3)24(20,21)16-7-5-11-23-16/h5,7-9,11H,4,6,10,12H2,1-3H3
InChIKeyDONSAWYWMXXVME-UHFFFAOYSA-N
XLogP2.71
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 24639156) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is Cc1ccc(CN(C)C(=O)CCCN(C)S(=O)(=O)c2cccs2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is DONSAWYWMXXVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S2/c1-13-8-9-14(22-13)12-17(2)15(19)6-4-10-18(3)24(20,21)16-7-5-11-23-16/h5,7-9,11H,4,6,10,12H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 370.50 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 24639156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).