N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

C19H22F2N2O6S2 — CID 34440417

IUPACN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCOc1cc(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C19H22F2N2O6S2/c1-27-15-12-13(2-3-14(15)29-19(20)21)4-6-22-18(24)17-16(5-11-30-17)31(25,26)23-7-9-28-10-8-23/h2-3,5,11-12,19H,4,6-10H2,1H3,(H,22,24)
InChIKeyJZTXVYVLNAKIDK-UHFFFAOYSA-N
MW476.52 g/mol
LogP2.35
Rot. Bonds9

About N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 34440417) has the molecular formula C19H22F2N2O6S2 and a molecular weight of 476.52 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID34440417
Molecular FormulaC19H22F2N2O6S2
Molecular Weight476.52 g/mol
Exact Mass476.09
IUPAC NameN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCOc1cc(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C19H22F2N2O6S2/c1-27-15-12-13(2-3-14(15)29-19(20)21)4-6-22-18(24)17-16(5-11-30-17)31(25,26)23-7-9-28-10-8-23/h2-3,5,11-12,19H,4,6-10H2,1H3,(H,22,24)
InChIKeyJZTXVYVLNAKIDK-UHFFFAOYSA-N
XLogP2.35
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 46445553
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578790
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3560058
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22519058
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46486195
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30146034
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
N-[(3-bromo-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 60621527
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 34440417) is N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is COc1cc(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)ccc1OC(F)F.
What is the InChIKey of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is JZTXVYVLNAKIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O6S2/c1-27-15-12-13(2-3-14(15)29-19(20)21)4-6-22-18(24)17-16(5-11-30-17)31(25,26)23-7-9-28-10-8-23/h2-3,5,11-12,19H,4,6-10H2,1H3,(H,22,24).
What are the key properties of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 34440417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).