N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide

C19H22N2O3S — CID 68582394

IUPACN-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2[C@@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)cc1
InChIInChI=1S/C19H22N2O3S/c1-12-4-6-14(7-5-12)18(22)21-17-16(19(17,2)3)13-8-10-15(11-9-13)25(20,23)24/h4-11,16-17H,1-3H3,(H,21,22)(H2,20,23,24)/t16-,17-/m1/s1
InChIKeyBKTCHTSQMHKXMB-IAGOWNOFSA-N
MW358.46 g/mol
LogP2.56
Rot. Bonds4

About N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide

N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide (PubChem CID 68582394) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide
PubChem CID68582394
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@@H]2[C@@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)cc1
InChIInChI=1S/C19H22N2O3S/c1-12-4-6-14(7-5-12)18(22)21-17-16(19(17,2)3)13-8-10-15(11-9-13)25(20,23)24/h4-11,16-17H,1-3H3,(H,21,22)(H2,20,23,24)/t16-,17-/m1/s1
InChIKeyBKTCHTSQMHKXMB-IAGOWNOFSA-N
XLogP2.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide?
The IUPAC name of N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide (CID 68582394) is N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@@H]2[C@@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)cc1.
What is the InChIKey of N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide?
The InChIKey is BKTCHTSQMHKXMB-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-4-6-14(7-5-12)18(22)21-17-16(19(17,2)3)13-8-10-15(11-9-13)25(20,23)24/h4-11,16-17H,1-3H3,(H,21,22)(H2,20,23,24)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide?
N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide is sourced from PubChem (CID 68582394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).