N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C20H19N3O5S2 — CID 26248424

IUPACN-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCOCc1cccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H19N3O5S2/c1-28-13-14-6-4-7-15(12-14)19(24)21-22-20(25)16-8-2-3-9-17(16)23-30(26,27)18-10-5-11-29-18/h2-12,23H,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyYQTKHUCQAVEFRD-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.77
Rot. Bonds7

About N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 26248424) has the molecular formula C20H19N3O5S2 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID26248424
Molecular FormulaC20H19N3O5S2
Molecular Weight445.52 g/mol
Exact Mass445.08
IUPAC NameN-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCOCc1cccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C20H19N3O5S2/c1-28-13-14-6-4-7-15(12-14)19(24)21-22-20(25)16-8-2-3-9-17(16)23-30(26,27)18-10-5-11-29-18/h2-12,23H,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyYQTKHUCQAVEFRD-UHFFFAOYSA-N
XLogP2.77
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698726
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-[2-[[(3-methyl-1,2-oxazole-5-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 31800733
N-[2-[(2-benzylsulfanylpropanoylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 55792346
N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715
N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 43016985
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 25497195
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 46652903
N-[2-[[[2-(methylamino)-5-nitrobenzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27023469
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 26248424) is N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is COCc1cccc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is YQTKHUCQAVEFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S2/c1-28-13-14-6-4-7-15(12-14)19(24)21-22-20(25)16-8-2-3-9-17(16)23-30(26,27)18-10-5-11-29-18/h2-12,23H,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 445.52 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 26248424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).