N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide

C20H27N3O7S — CID 38759705

IUPACN-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)ccc1OC(C)C
InChIInChI=1S/C20H27N3O7S/c1-12(2)29-14-8-7-13(11-16(14)28-6)18(24)21-22-19(25)15-9-10-17(30-15)31(26,27)23-20(3,4)5/h7-12,23H,1-6H3,(H,21,24)(H,22,25)
InChIKeyVCQQCJQVIWFIFU-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.23
Rot. Bonds7

About N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide

N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide (PubChem CID 38759705) has the molecular formula C20H27N3O7S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide
PubChem CID38759705
Molecular FormulaC20H27N3O7S
Molecular Weight453.52 g/mol
Exact Mass453.16
IUPAC NameN-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)ccc1OC(C)C
InChIInChI=1S/C20H27N3O7S/c1-12(2)29-14-8-7-13(11-16(14)28-6)18(24)21-22-19(25)15-9-10-17(30-15)31(26,27)23-20(3,4)5/h7-12,23H,1-6H3,(H,21,24)(H,22,25)
InChIKeyVCQQCJQVIWFIFU-UHFFFAOYSA-N
XLogP2.23
TPSA135.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
CID 2355027
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
CID 55447326
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 30544601
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 8621873

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide (CID 38759705) is N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide is COc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)ccc1OC(C)C.
What is the InChIKey of N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide?
The InChIKey is VCQQCJQVIWFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O7S/c1-12(2)29-14-8-7-13(11-16(14)28-6)18(24)21-22-19(25)15-9-10-17(30-15)31(26,27)23-20(3,4)5/h7-12,23H,1-6H3,(H,21,24)(H,22,25).
What are the key properties of N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide?
N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide has a molecular weight of 453.52 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]furan-2-sulfonamide is sourced from PubChem (CID 38759705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).