N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

C26H26N4O7S2 — CID 142851230

IUPACN-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccc(S(=O)(=O)N5CCOCC5)cc4)c3s2)c1
InChIInChI=1S/C26H26N4O7S2/c1-36-19-4-2-3-18(13-19)15-27-24(32)22-14-21-23(31)28-26(33)30(25(21)38-22)16-17-5-7-20(8-6-17)39(34,35)29-9-11-37-12-10-29/h2-8,13-14H,9-12,15-16H2,1H3,(H,27,32)(H,28,31,33)
InChIKeyKFHWFLZZHLCLFH-UHFFFAOYSA-N
MW570.65 g/mol
LogP1.76
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide

N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 142851230) has the molecular formula C26H26N4O7S2 and a molecular weight of 570.65 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID142851230
Molecular FormulaC26H26N4O7S2
Molecular Weight570.65 g/mol
Exact Mass570.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccc(S(=O)(=O)N5CCOCC5)cc4)c3s2)c1
InChIInChI=1S/C26H26N4O7S2/c1-36-19-4-2-3-18(13-19)15-27-24(32)22-14-21-23(31)28-26(33)30(25(21)38-22)16-17-5-7-20(8-6-17)39(34,35)29-9-11-37-12-10-29/h2-8,13-14H,9-12,15-16H2,1H3,(H,27,32)(H,28,31,33)
InChIKeyKFHWFLZZHLCLFH-UHFFFAOYSA-N
XLogP1.76
TPSA139.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.65
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18104587
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
1-methyl-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 90887195
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 55372717
1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
3-[2-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]ethyl]-N-[(3-methoxyphenyl)methyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 142161514
N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1456436
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
CID 27861900
5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
CID 39576917

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide (CID 142851230) is N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(CNC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccc(S(=O)(=O)N5CCOCC5)cc4)c3s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KFHWFLZZHLCLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O7S2/c1-36-19-4-2-3-18(13-19)15-27-24(32)22-14-21-23(31)28-26(33)30(25(21)38-22)16-17-5-7-20(8-6-17)39(34,35)29-9-11-37-12-10-29/h2-8,13-14H,9-12,15-16H2,1H3,(H,27,32)(H,28,31,33).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 570.65 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 142851230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).