N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide

C19H18N2O5S — CID 89258044

IUPACN-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide
SMILESC=C1C(NC=O)=COc2cc(N(C)S(C)(=O)=O)c(Oc3ccccc3)cc21
InChIInChI=1S/C19H18N2O5S/c1-13-15-9-19(26-14-7-5-4-6-8-14)17(21(2)27(3,23)24)10-18(15)25-11-16(13)20-12-22/h4-12H,1H2,2-3H3,(H,20,22)
InChIKeyPLVJFUAKTGKZSY-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.87
Rot. Bonds6

About N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide

N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide (PubChem CID 89258044) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide.

Molecular Properties

Compound NameN-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide
PubChem CID89258044
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide
SMILESC=C1C(NC=O)=COc2cc(N(C)S(C)(=O)=O)c(Oc3ccccc3)cc21
InChIInChI=1S/C19H18N2O5S/c1-13-15-9-19(26-14-7-5-4-6-8-14)17(21(2)27(3,23)24)10-18(15)25-11-16(13)20-12-22/h4-12H,1H2,2-3H3,(H,20,22)
InChIKeyPLVJFUAKTGKZSY-UHFFFAOYSA-N
XLogP2.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide?
The IUPAC name of N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide (CID 89258044) is N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide.
What is the SMILES notation for N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide?
The canonical SMILES for N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide is C=C1C(NC=O)=COc2cc(N(C)S(C)(=O)=O)c(Oc3ccccc3)cc21.
What is the InChIKey of N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide?
The InChIKey is PLVJFUAKTGKZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-13-15-9-19(26-14-7-5-4-6-8-14)17(21(2)27(3,23)24)10-18(15)25-11-16(13)20-12-22/h4-12H,1H2,2-3H3,(H,20,22).
What are the key properties of N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide?
N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide has a molecular weight of 386.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methylidene-7-[methyl(methylsulfonyl)amino]-6-phenoxychromen-3-yl]formamide is sourced from PubChem (CID 89258044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).