2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide

C22H29N3O4S — CID 167430787

IUPAC2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide
SMILES[H]N=S(N)(=O)c1occ(C(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])c1C(=O)Nc1c([C@@H](C)C2CC2)ccc2c1CCC2
InChIInChI=1S/C22H29N3O4S/c1-12(13-7-8-13)15-10-9-14-5-4-6-16(14)19(15)25-20(26)18-17(22(2,3)27)11-29-21(18)30(23,24)28/h9-13,27H,4-8H2,1-3H3,(H,25,26)(H3,23,24,28)/t12-/m0/s1/i2D3,3D3
InChIKeyLPWLOQQAZPIEKV-HDTMYPSBSA-N
MW437.59 g/mol
LogP4.04
Rot. Bonds8

About 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide

2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide (PubChem CID 167430787) has the molecular formula C22H29N3O4S and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide
PubChem CID167430787
Molecular FormulaC22H29N3O4S
Molecular Weight437.59 g/mol
Exact Mass437.23
IUPAC Name2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide
SMILES[H]N=S(N)(=O)c1occ(C(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])c1C(=O)Nc1c([C@@H](C)C2CC2)ccc2c1CCC2
InChIInChI=1S/C22H29N3O4S/c1-12(13-7-8-13)15-10-9-14-5-4-6-16(14)19(15)25-20(26)18-17(22(2,3)27)11-29-21(18)30(23,24)28/h9-13,27H,4-8H2,1-3H3,(H,25,26)(H3,23,24,28)/t12-/m0/s1/i2D3,3D3
InChIKeyLPWLOQQAZPIEKV-HDTMYPSBSA-N
XLogP4.04
TPSA129.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide?
The IUPAC name of 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide (CID 167430787) is 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide is [H]N=S(N)(=O)c1occ(C(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])c1C(=O)Nc1c([C@@H](C)C2CC2)ccc2c1CCC2.
What is the InChIKey of 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide?
The InChIKey is LPWLOQQAZPIEKV-HDTMYPSBSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-12(13-7-8-13)15-10-9-14-5-4-6-16(14)19(15)25-20(26)18-17(22(2,3)27)11-29-21(18)30(23,24)28/h9-13,27H,4-8H2,1-3H3,(H,25,26)(H3,23,24,28)/t12-/m0/s1/i2D3,3D3.
What are the key properties of 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide?
2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 4.04, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminosulfonimidoyl)-N-[5-[(1S)-1-cyclopropylethyl]-2,3-dihydro-1H-inden-4-yl]-4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 167430787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).