N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide

C34H34ClN5O5S2 — CID 145432438

About N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide

N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide (PubChem CID 145432438) has the molecular formula C34H34ClN5O5S2 and a molecular weight of 692.26 g/mol. Its IUPAC name is N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
• PubChem CID: 145432438
• Molecular Formula: C34H34ClN5O5S2
• Molecular Weight: 692.26 g/mol
• Exact Mass: 691.17
• IUPAC Name: N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide
• SMILES: Nc1nc(Cl)c(CO)n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C34H34ClN5O5S2/c35-31-29(22-41)40(34(36)37-31)20-23-11-13-24(14-12-23)28-19-27(21-39-15-17-45-18-16-39)46-33(28)47(43,44)38-32(42)30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,19,30,41H,15-18,20-22H2,(H2,36,37)(H,38,42)
• InChIKey: VIPAYYSAESIVQN-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 139.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	692.26
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?

The IUPAC name of N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide (CID 145432438) is N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide.

What is the SMILES notation for N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?

The canonical SMILES for N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide is Nc1nc(Cl)c(CO)n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?

The InChIKey is VIPAYYSAESIVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClN5O5S2/c35-31-29(22-41)40(34(36)37-31)20-23-11-13-24(14-12-23)28-19-27(21-39-15-17-45-18-16-39)46-33(28)47(43,44)38-32(42)30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,19,30,41H,15-18,20-22H2,(H2,36,37)(H,38,42).

What are the key properties of N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide?

N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide has a molecular weight of 692.26 g/mol, XLogP of 4.86, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[[2-amino-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]sulfonyl-2,2-diphenylacetamide is sourced from PubChem (CID 145432438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).