N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide

C18H18N2O5S — CID 118007846

IUPACN-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide
SMILESCOc1ccccc1C(=O)N=S(=O)=O.O=C(NC1CC1)c1ccccc1
InChIInChI=1S/C10H11NO.C8H7NO4S/c12-10(11-9-6-7-9)8-4-2-1-3-5-8;1-13-7-5-3-2-4-6(7)8(10)9-14(11)12/h1-5,9H,6-7H2,(H,11,12);2-5H,1H3
InChIKeyHFJHOIHMKWRVHA-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.48
Rot. Bonds4

About N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide

N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide (PubChem CID 118007846) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide
PubChem CID118007846
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide
SMILESCOc1ccccc1C(=O)N=S(=O)=O.O=C(NC1CC1)c1ccccc1
InChIInChI=1S/C10H11NO.C8H7NO4S/c12-10(11-9-6-7-9)8-4-2-1-3-5-8;1-13-7-5-3-2-4-6(7)8(10)9-14(11)12/h1-5,9H,6-7H2,(H,11,12);2-5H,1H3
InChIKeyHFJHOIHMKWRVHA-UHFFFAOYSA-N
XLogP2.48
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide?
The IUPAC name of N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide (CID 118007846) is N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide.
What is the SMILES notation for N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide?
The canonical SMILES for N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide is COc1ccccc1C(=O)N=S(=O)=O.O=C(NC1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide?
The InChIKey is HFJHOIHMKWRVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C8H7NO4S/c12-10(11-9-6-7-9)8-4-2-1-3-5-8;1-13-7-5-3-2-4-6(7)8(10)9-14(11)12/h1-5,9H,6-7H2,(H,11,12);2-5H,1H3.
What are the key properties of N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide?
N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide has a molecular weight of 374.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylbenzamide;2-methoxy-N-sulfonylbenzamide is sourced from PubChem (CID 118007846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).