N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide

C22H21N3O4S — CID 4964161

IUPACN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C22H21N3O4S/c26-22(11-10-16-14-23-21-9-2-1-8-20(16)21)25-17-5-3-7-19(13-17)30(27,28)24-15-18-6-4-12-29-18/h1-9,12-14,23-24H,10-11,15H2,(H,25,26)
InChIKeyFYTCHAUNRGEONU-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.81
Rot. Bonds8

About N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 4964161) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID4964161
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C22H21N3O4S/c26-22(11-10-16-14-23-21-9-2-1-8-20(16)21)25-17-5-3-7-19(13-17)30(27,28)24-15-18-6-4-12-29-18/h1-9,12-14,23-24H,10-11,15H2,(H,25,26)
InChIKeyFYTCHAUNRGEONU-UHFFFAOYSA-N
XLogP3.81
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 26856264
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 3532204
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
CID 29203647
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 38549866
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 24639699
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
4-(5-chlorothiophen-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-oxobutanamide
CID 17494727

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide (CID 4964161) is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is FYTCHAUNRGEONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c26-22(11-10-16-14-23-21-9-2-1-8-20(16)21)25-17-5-3-7-19(13-17)30(27,28)24-15-18-6-4-12-29-18/h1-9,12-14,23-24H,10-11,15H2,(H,25,26).
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide?
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 423.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 4964161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).