N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide

C25H30N2O3S — CID 91919883

IUPACN-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
SMILESCc1ccsc1C(=O)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2
InChIInChI=1S/C25H30N2O3S/c1-18-10-16-31-22(18)24(29)26-13-11-25(12-14-26)17-21(9-15-30-25)27(20-7-8-20)23(28)19-5-3-2-4-6-19/h2-6,10,16,20-21H,7-9,11-15,17H2,1H3
InChIKeyANHSFOANLVZXKK-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.52
Rot. Bonds4

About N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide

N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide (PubChem CID 91919883) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
PubChem CID91919883
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
SMILESCc1ccsc1C(=O)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2
InChIInChI=1S/C25H30N2O3S/c1-18-10-16-31-22(18)24(29)26-13-11-25(12-14-26)17-21(9-15-30-25)27(20-7-8-20)23(28)19-5-3-2-4-6-19/h2-6,10,16,20-21H,7-9,11-15,17H2,1H3
InChIKeyANHSFOANLVZXKK-UHFFFAOYSA-N
XLogP4.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[cyclopropyl-(4-thiophen-3-ylbenzoyl)amino]piperidine-1-carboxylate
CID 89995536
4-[Cyclopropyl[4-(2-thienyl)benzoyl]amino]-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
CID 90001649
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908291
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(thiophene-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919155
4-[(4-Fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053245
(2,4-Difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 134817056
1-(3-Phenylmorpholin-4-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 71993259
(3R*,4R*)-1-[(5-isopropyl-3-thienyl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72854489
N-Cyclopropyl-N-[(4-fluorophenyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908288
1-(4-{Cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-YL)-2-(thiophen-3-YL)ethan-1-one
CID 91919153
1-{4-[Cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undec-9-yl}-2-(2-thienyl)-1-ethanone
CID 91919158
Phenyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 96448817

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide (CID 91919883) is N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide is Cc1ccsc1C(=O)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2.
What is the InChIKey of N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
The InChIKey is ANHSFOANLVZXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-18-10-16-31-22(18)24(29)26-13-11-25(12-14-26)17-21(9-15-30-25)27(20-7-8-20)23(28)19-5-3-2-4-6-19/h2-6,10,16,20-21H,7-9,11-15,17H2,1H3.
What are the key properties of N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide has a molecular weight of 438.59 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[9-(3-methylthiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide is sourced from PubChem (CID 91919883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).