N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

C19H22N2O4S2 — CID 42930432

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCC(NC(=O)CCCN(C)S(=O)(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C19H22N2O4S2/c1-14(17-13-15-7-3-4-8-16(15)25-17)20-18(22)9-5-11-21(2)27(23,24)19-10-6-12-26-19/h3-4,6-8,10,12-14H,5,9,11H2,1-2H3,(H,20,22)
InChIKeyPUDXFUOYYWBGJZ-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.77
Rot. Bonds8

About N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 42930432) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID42930432
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCC(NC(=O)CCCN(C)S(=O)(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C19H22N2O4S2/c1-14(17-13-15-7-3-4-8-16(15)25-17)20-18(22)9-5-11-21(2)27(23,24)19-10-6-12-26-19/h3-4,6-8,10,12-14H,5,9,11H2,1-2H3,(H,20,22)
InChIKeyPUDXFUOYYWBGJZ-UHFFFAOYSA-N
XLogP3.77
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24593558
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 9366357
N'-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 41037019
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 42930432) is N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is CC(NC(=O)CCCN(C)S(=O)(=O)c1cccs1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is PUDXFUOYYWBGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-14(17-13-15-7-3-4-8-16(15)25-17)20-18(22)9-5-11-21(2)27(23,24)19-10-6-12-26-19/h3-4,6-8,10,12-14H,5,9,11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 406.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 42930432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).