N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide

C16H17NO4S — CID 22554748

IUPACN-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)Cc2ccc(C(=O)NC3CC3)o2)cc1
InChIInChI=1S/C16H17NO4S/c1-20-12-4-7-14(8-5-12)22(19)10-13-6-9-15(21-13)16(18)17-11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H,17,18)
InChIKeyHJYULPNFCSBGFI-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.49
Rot. Bonds6

About N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide

N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 22554748) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID22554748
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)Cc2ccc(C(=O)NC3CC3)o2)cc1
InChIInChI=1S/C16H17NO4S/c1-20-12-4-7-14(8-5-12)22(19)10-13-6-9-15(21-13)16(18)17-11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H,17,18)
InChIKeyHJYULPNFCSBGFI-UHFFFAOYSA-N
XLogP2.49
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide (CID 22554748) is N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide is COc1ccc(S(=O)Cc2ccc(C(=O)NC3CC3)o2)cc1.
What is the InChIKey of N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is HJYULPNFCSBGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-12-4-7-14(8-5-12)22(19)10-13-6-9-15(21-13)16(18)17-11-2-3-11/h4-9,11H,2-3,10H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 22554748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).