N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide

C20H19ClN2O4S — CID 9368958

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H19ClN2O4S/c1-12(18-10-13-4-2-3-5-17(13)27-18)22-20(24)14-6-9-16(21)19(11-14)28(25,26)23-15-7-8-15/h2-6,9-12,15,23H,7-8H2,1H3,(H,22,24)/t12-/m0/s1
InChIKeyIXDIMZLCOIMPHY-LBPRGKRZSA-N
MW418.90 g/mol
LogP4.02
Rot. Bonds6

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 9368958) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide
PubChem CID9368958
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)c1cc2ccccc2o1
InChIInChI=1S/C20H19ClN2O4S/c1-12(18-10-13-4-2-3-5-17(13)27-18)22-20(24)14-6-9-16(21)19(11-14)28(25,26)23-15-7-8-15/h2-6,9-12,15,23H,7-8H2,1H3,(H,22,24)/t12-/m0/s1
InChIKeyIXDIMZLCOIMPHY-LBPRGKRZSA-N
XLogP4.02
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 51206832
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41139387
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 55389871
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 55371526
3-(cyclopropylsulfamoyl)-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9453559
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
CID 39966545

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide (CID 9368958) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide is C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is IXDIMZLCOIMPHY-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-12(18-10-13-4-2-3-5-17(13)27-18)22-20(24)14-6-9-16(21)19(11-14)28(25,26)23-15-7-8-15/h2-6,9-12,15,23H,7-8H2,1H3,(H,22,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 418.90 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 9368958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).