N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

C18H24N2O4S — CID 4059945

IUPACN-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCCC(C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCCC3)cc2c1C
InChIInChI=1S/C18H24N2O4S/c1-4-12(2)19-18(21)17-13(3)15-11-14(7-8-16(15)24-17)25(22,23)20-9-5-6-10-20/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21)
InChIKeyUVRWZUHNSALYJO-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.05
Rot. Bonds5

About N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide (PubChem CID 4059945) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
PubChem CID4059945
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCCC(C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCCC3)cc2c1C
InChIInChI=1S/C18H24N2O4S/c1-4-12(2)19-18(21)17-13(3)15-11-14(7-8-16(15)24-17)25(22,23)20-9-5-6-10-20/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21)
InChIKeyUVRWZUHNSALYJO-UHFFFAOYSA-N
XLogP3.05
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4526754
N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3530969
3-methyl-N-(2-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 5220536
5-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246543
(4-ethylpiperazin-4-ium-1-yl)-(3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 4061891
(4-methylpiperazin-1-yl)-(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 5091000
5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-1-benzofuran-2-carboxamide
CID 98460285
[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 3243719
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide
CID 11631663
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
5-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246547

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide (CID 4059945) is N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide is CCC(C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCCC3)cc2c1C.
What is the InChIKey of N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is UVRWZUHNSALYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-4-12(2)19-18(21)17-13(3)15-11-14(7-8-16(15)24-17)25(22,23)20-9-5-6-10-20/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4059945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).