(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C26H35F3N4O2S2 — CID 154602971

About (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 154602971) has the molecular formula C26H35F3N4O2S2 and a molecular weight of 556.72 g/mol. Its IUPAC name is (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• PubChem CID: 154602971
• Molecular Formula: C26H35F3N4O2S2
• Molecular Weight: 556.72 g/mol
• Exact Mass: 556.22
• IUPAC Name: (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• SMILES: [H]N=[S@](=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C(F)(F)F)CC2)C3)nc1
• InChI: InChI=1S/C26H35F3N4O2S2/c1-4-37(30,35)21-10-9-20(31-13-21)12-32-25(34)22-11-18-15-33(23(16(2)3)24(18)36-22)14-17-5-7-19(8-6-17)26(27,28)29/h9-11,13,16-17,19,23,30H,4-8,12,14-15H2,1-3H3,(H,32,34)/t17?,19?,23-,37-/m0/s1
• InChIKey: DHVXPXLRTXCADL-HORQYXGOSA-N
• XLogP: 6.38
• TPSA: 86.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.72
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The IUPAC name of (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 154602971) is (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

What is the SMILES notation for (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The canonical SMILES for (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is [H]N=[S@](=O)(CC)c1ccc(CNC(=O)c2cc3c(s2)[C@H](C(C)C)N(CC2CCC(C(F)(F)F)CC2)C3)nc1.

What is the InChIKey of (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The InChIKey is DHVXPXLRTXCADL-HORQYXGOSA-N. The full InChI is InChI=1S/C26H35F3N4O2S2/c1-4-37(30,35)21-10-9-20(31-13-21)12-32-25(34)22-11-18-15-33(23(16(2)3)24(18)36-22)14-17-5-7-19(8-6-17)26(27,28)29/h9-11,13,16-17,19,23,30H,4-8,12,14-15H2,1-3H3,(H,32,34)/t17?,19?,23-,37-/m0/s1.

What are the key properties of (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

(6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 556.72 g/mol, XLogP of 6.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methyl]-6-propan-2-yl-5-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 154602971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).