3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide

C25H29N3O2S — CID 55660430

IUPAC3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccsc1
InChIInChI=1S/C25H29N3O2S/c1-3-28(4-2)23(20-11-12-31-16-20)15-26-25(30)21-13-18-7-5-6-8-19(18)14-22(21)27-24(29)17-9-10-17/h5-8,11-14,16-17,23H,3-4,9-10,15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyXBGBPNDSICWVHX-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.06
Rot. Bonds9

About 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide (PubChem CID 55660430) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide
PubChem CID55660430
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccsc1
InChIInChI=1S/C25H29N3O2S/c1-3-28(4-2)23(20-11-12-31-16-20)15-26-25(30)21-13-18-7-5-6-8-19(18)14-22(21)27-24(29)17-9-10-17/h5-8,11-14,16-17,23H,3-4,9-10,15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyXBGBPNDSICWVHX-UHFFFAOYSA-N
XLogP5.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
CID 55660317
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
CID 42953753
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51941884
2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide
CID 39212841
N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55522622
3-(cyclopropanecarbonylamino)-N-(3-methyl-2-morpholin-4-ylbutyl)naphthalene-2-carboxamide
CID 55519412
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 51151148
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46434571
2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide
CID 55843027
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide (CID 55660430) is 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide is CCN(CC)C(CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccsc1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide?
The InChIKey is XBGBPNDSICWVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-3-28(4-2)23(20-11-12-31-16-20)15-26-25(30)21-13-18-7-5-6-8-19(18)14-22(21)27-24(29)17-9-10-17/h5-8,11-14,16-17,23H,3-4,9-10,15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55660430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).