N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C26H29N3O4S — CID 34668667

IUPACN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1
InChIInChI=1S/C26H29N3O4S/c1-2-15-29(22-11-4-3-5-12-22)34(31,32)23-13-8-10-21(19-23)26(30)27-20-24(25-14-9-18-33-25)28-16-6-7-17-28/h2-5,8-14,18-19,24H,1,6-7,15-17,20H2,(H,27,30)/t24-/m1/s1
InChIKeyUJKOVVQDWXSXNW-XMMPIXPASA-N
MW479.60 g/mol
LogP4.23
Rot. Bonds10

About N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 34668667) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID34668667
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1
InChIInChI=1S/C26H29N3O4S/c1-2-15-29(22-11-4-3-5-12-22)34(31,32)23-13-8-10-21(19-23)26(30)27-20-24(25-14-9-18-33-25)28-16-6-7-17-28/h2-5,8-14,18-19,24H,1,6-7,15-17,20H2,(H,27,30)/t24-/m1/s1
InChIKeyUJKOVVQDWXSXNW-XMMPIXPASA-N
XLogP4.23
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 24979544
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
3-[phenyl(prop-2-enyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 17482321
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 25362966
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 7719507
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 41291988
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 34668667) is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is UJKOVVQDWXSXNW-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-2-15-29(22-11-4-3-5-12-22)34(31,32)23-13-8-10-21(19-23)26(30)27-20-24(25-14-9-18-33-25)28-16-6-7-17-28/h2-5,8-14,18-19,24H,1,6-7,15-17,20H2,(H,27,30)/t24-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 34668667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).