tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate

C23H39N3O3S — CID 145202300

IUPACtert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate
SMILESCCC(C)N(CCC(=O)Nc1sc2c(c1C)CCN(C(C)C)C2)C(=O)OC(C)(C)C
InChIInChI=1S/C23H39N3O3S/c1-9-16(4)26(22(28)29-23(6,7)8)13-11-20(27)24-21-17(5)18-10-12-25(15(2)3)14-19(18)30-21/h15-16H,9-14H2,1-8H3,(H,24,27)
InChIKeyGXAWALSRKOHCQV-UHFFFAOYSA-N
MW437.65 g/mol
LogP5.19
Rot. Bonds7

About tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate

tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate (PubChem CID 145202300) has the molecular formula C23H39N3O3S and a molecular weight of 437.65 g/mol. Its IUPAC name is tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate
PubChem CID145202300
Molecular FormulaC23H39N3O3S
Molecular Weight437.65 g/mol
Exact Mass437.27
IUPAC Nametert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate
SMILESCCC(C)N(CCC(=O)Nc1sc2c(c1C)CCN(C(C)C)C2)C(=O)OC(C)(C)C
InChIInChI=1S/C23H39N3O3S/c1-9-16(4)26(22(28)29-23(6,7)8)13-11-20(27)24-21-17(5)18-10-12-25(15(2)3)14-19(18)30-21/h15-16H,9-14H2,1-8H3,(H,24,27)
InChIKeyGXAWALSRKOHCQV-UHFFFAOYSA-N
XLogP5.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.65
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate (CID 145202300) is tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate is CCC(C)N(CCC(=O)Nc1sc2c(c1C)CCN(C(C)C)C2)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate?
The InChIKey is GXAWALSRKOHCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3S/c1-9-16(4)26(22(28)29-23(6,7)8)13-11-20(27)24-21-17(5)18-10-12-25(15(2)3)14-19(18)30-21/h15-16H,9-14H2,1-8H3,(H,24,27).
What are the key properties of tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate?
tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate has a molecular weight of 437.65 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butan-2-yl-N-[3-[(3-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 145202300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).