5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide

C24H25ClF4N4O4S — CID 90745159

About 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide

5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 90745159) has the molecular formula C24H25ClF4N4O4S and a molecular weight of 577.00 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
• PubChem CID: 90745159
• Molecular Formula: C24H25ClF4N4O4S
• Molecular Weight: 577.00 g/mol
• Exact Mass: 576.12
• IUPAC Name: 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
• SMILES: O=C(NC[C@H](C(=O)Nc1ccc(N2CCOCC2=O)c(F)c1)N(CC1CC1)CC(F)(F)F)c1ccc(Cl)s1
• InChI: InChI=1S/C24H25ClF4N4O4S/c25-20-6-5-19(38-20)23(36)30-10-18(32(11-14-1-2-14)13-24(27,28)29)22(35)31-15-3-4-17(16(26)9-15)33-7-8-37-12-21(33)34/h3-6,9,14,18H,1-2,7-8,10-13H2,(H,30,36)(H,31,35)/t18-/m1/s1
• InChIKey: CXODPHMTTHVTNJ-GOSISDBHSA-N
• XLogP: 3.92
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.00
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide (CID 90745159) is 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide is O=C(NC[C@H](C(=O)Nc1ccc(N2CCOCC2=O)c(F)c1)N(CC1CC1)CC(F)(F)F)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?

The InChIKey is CXODPHMTTHVTNJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25ClF4N4O4S/c25-20-6-5-19(38-20)23(36)30-10-18(32(11-14-1-2-14)13-24(27,28)29)22(35)31-15-3-4-17(16(26)9-15)33-7-8-37-12-21(33)34/h3-6,9,14,18H,1-2,7-8,10-13H2,(H,30,36)(H,31,35)/t18-/m1/s1.

What are the key properties of 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide?

5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 577.00 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2R)-2-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 90745159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).